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Showing NP-Card for Telomycin (NP0021694)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 06:58:07 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:37:01 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0021694 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Telomycin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Telomycin is found in Streptomyces canus and Streptomyces sp.. It was first documented in 1968 (PMID: 5634622). Based on a literature review very few articles have been published on 2-amino-3-{[1-({[5,11,13,20,23,26,32-heptahydroxy-3-(1-hydroxy-2-methylpropyl)-24-(1-hydroxyethyl)-6-[1-(1H-indol-3-yl)ethyl]-9-[(1H-indol-3-yl)methylidene]-21,28-dimethyl-2,8,17,30-tetraoxo-29-oxa-1,4,7,10,16,19,22,25-octaazatricyclo[29.3.0.0¹²,¹⁶]Tetratriaconta-4,10,19,22,25-pentaen-27-yl]methyl}-C-hydroxycarbonimidoyl)-2-hydroxyethyl]-C-hydroxycarbonimidoyl}propanoic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0021694 (Telomycin)Mrv1652307042108013D 171177 0 0 0 0 999 V2000 1.6591 7.4618 -0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4428 6.0320 0.0339 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1121 5.2259 -1.0834 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 4.3742 -1.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8807 4.1495 -3.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2005 3.7374 -1.1079 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4609 4.5968 -1.2803 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8946 4.6132 -2.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5645 4.0114 -0.6009 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5124 2.4619 -1.7297 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3248 1.4335 -1.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2019 0.9660 -1.9396 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2141 0.9058 0.1972 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3779 0.9206 1.0753 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5711 0.2927 0.8077 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7521 -0.3241 0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5367 -0.1754 -0.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2582 -1.3968 1.5356 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5396 -2.6860 1.1973 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8760 -3.0833 -0.1163 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6299 -1.6096 1.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7204 -0.7559 1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6102 0.4513 1.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0877 -1.3856 1.3032 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1542 -0.6259 0.6536 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8902 -0.4796 -0.7730 N 0 0 2 0 0 0 0 0 0 0 0 0 13.3682 0.6887 1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6219 0.7674 2.5077 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2710 1.7924 0.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 -0.3001 0.1897 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9745 -1.5048 0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 -0.4410 -1.0675 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5304 -1.4957 -1.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 -1.3774 -3.1285 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9925 -2.8142 -1.4178 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8897 -3.9388 -1.9096 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2688 -4.8018 -0.8984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -4.6498 -3.0024 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0600 -3.6992 -3.3030 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7107 -3.1272 -1.9713 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5821 -2.9559 -1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5028 -2.8116 -2.3813 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0927 -2.9212 -0.0928 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4899 -4.0318 0.7463 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1640 -4.1928 1.9163 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6143 -5.3097 -0.0601 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0626 -5.5825 -0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1904 -6.4393 0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -1.6225 0.4708 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1185 -0.9800 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7538 -0.3390 2.2381 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5623 -1.1075 0.8432 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4883 -1.5602 1.8722 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8784 -2.8353 2.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6622 -2.3360 1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5848 -3.0698 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7234 -3.7680 -0.0795 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5441 -3.4673 0.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8215 -3.9098 1.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4587 -3.4672 2.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8004 -2.5786 3.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5312 -2.1470 2.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8792 -2.5714 1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7766 -0.9630 -0.5258 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7877 -0.4781 -1.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0601 -1.2850 -2.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6055 0.7359 -1.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9021 0.5356 -1.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9614 1.5113 -1.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2975 2.5888 -0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3853 3.2035 -1.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8090 2.5600 -2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8903 2.7968 -3.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1417 1.9802 -4.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2665 0.9265 -4.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1814 0.7092 -3.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9605 1.5145 -2.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2297 2.0747 -1.0468 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3097 2.7539 -0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1646 2.9761 -0.8868 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2777 3.2987 1.1011 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5524 3.1793 1.9084 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3823 4.3131 1.7215 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0194 3.2296 3.3430 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7901 2.3714 3.1678 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1950 2.9937 1.9644 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8466 3.2592 1.7635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 2.5736 2.3368 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3319 4.3436 0.8881 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3779 5.1293 1.6389 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4805 6.1145 1.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4477 7.2911 1.7159 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1534 7.5517 -1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7349 7.5710 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 8.2293 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 5.6827 0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 5.2242 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9995 3.6672 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 5.6114 -0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6527 5.4291 -2.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4075 3.6570 -3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 4.8887 -3.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 4.5161 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 2.2781 -2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4489 1.7158 0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0263 0.6752 2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6094 2.0390 1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7179 1.0661 -0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9440 -1.0199 2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4754 -2.6962 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9628 -3.4994 1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4827 -2.4331 -0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9256 -2.6831 1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0346 -2.4597 0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3450 -1.4396 2.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1194 -1.2318 0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4502 -1.3712 -1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8558 -0.5000 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3725 2.7413 0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4148 -0.0966 0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 -2.0387 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7842 -1.1941 1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4695 -2.1484 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 -2.8278 -0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8166 -3.4503 -2.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 -4.7893 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8437 -5.6200 -2.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8327 -4.8219 -3.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3301 -2.9339 -4.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2491 -4.2903 -3.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1985 -3.2250 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5652 -3.8667 1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 -4.9706 2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0283 -5.3738 -0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 -6.6698 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7748 -5.0864 0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3176 -5.2752 -1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2571 -7.2649 0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 -6.8499 1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 -6.0351 1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1993 -1.0400 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8026 0.1568 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8522 -0.9268 2.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 -3.6648 1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9306 -2.5489 3.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5831 -3.1000 3.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7214 -3.1572 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9346 -4.4101 -0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3452 -4.6087 0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4706 -3.8449 2.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3258 -2.2562 4.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0504 -1.4468 3.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9137 -1.2785 -1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2046 -0.4860 -1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7629 2.9110 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8524 4.0599 -0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5634 3.6290 -3.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9802 2.1411 -5.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4453 0.2825 -5.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5264 -0.1214 -3.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7932 2.8345 -1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2304 4.4633 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1236 2.2891 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6613 4.6114 2.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7381 2.8736 4.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7299 4.3138 3.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1423 1.3530 3.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1112 2.4485 4.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1536 4.9714 0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8035 3.7790 0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3084 4.9477 2.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 13 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 43 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 52 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 65 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 75 76 1 0 0 0 0 76 77 2 0 0 0 0 67 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 2 0 0 0 0 79 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 2 0 0 0 0 87 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 2 0 0 0 0 91 2 1 0 0 0 0 40 35 1 0 0 0 0 63 55 1 0 0 0 0 77 69 1 0 0 0 0 86 81 1 0 0 0 0 63 58 1 0 0 0 0 77 72 1 0 0 0 0 1 93 1 0 0 0 0 1 94 1 0 0 0 0 1 95 1 0 0 0 0 2 96 1 1 0 0 0 3 97 1 0 0 0 0 6 98 1 1 0 0 0 7 99 1 1 0 0 0 8100 1 0 0 0 0 8101 1 0 0 0 0 8102 1 0 0 0 0 9103 1 0 0 0 0 10104 1 0 0 0 0 13105 1 1 0 0 0 14106 1 0 0 0 0 14107 1 0 0 0 0 15108 1 0 0 0 0 18109 1 1 0 0 0 19110 1 0 0 0 0 19111 1 0 0 0 0 20112 1 0 0 0 0 21113 1 0 0 0 0 24114 1 0 0 0 0 24115 1 0 0 0 0 25116 1 6 0 0 0 26117 1 0 0 0 0 26118 1 0 0 0 0 29119 1 0 0 0 0 30120 1 1 0 0 0 31121 1 0 0 0 0 31122 1 0 0 0 0 31123 1 0 0 0 0 35124 1 1 0 0 0 36125 1 6 0 0 0 37126 1 0 0 0 0 38127 1 0 0 0 0 38128 1 0 0 0 0 39129 1 0 0 0 0 39130 1 0 0 0 0 43131 1 6 0 0 0 44132 1 1 0 0 0 45133 1 0 0 0 0 46134 1 6 0 0 0 47135 1 0 0 0 0 47136 1 0 0 0 0 47137 1 0 0 0 0 48138 1 0 0 0 0 48139 1 0 0 0 0 48140 1 0 0 0 0 49141 1 0 0 0 0 52142 1 1 0 0 0 53143 1 1 0 0 0 54144 1 0 0 0 0 54145 1 0 0 0 0 54146 1 0 0 0 0 56147 1 0 0 0 0 57148 1 0 0 0 0 59149 1 0 0 0 0 60150 1 0 0 0 0 61151 1 0 0 0 0 62152 1 0 0 0 0 64153 1 0 0 0 0 68154 1 0 0 0 0 70155 1 0 0 0 0 71156 1 0 0 0 0 73157 1 0 0 0 0 74158 1 0 0 0 0 75159 1 0 0 0 0 76160 1 0 0 0 0 78161 1 0 0 0 0 81162 1 6 0 0 0 82163 1 1 0 0 0 83164 1 0 0 0 0 84165 1 0 0 0 0 84166 1 0 0 0 0 85167 1 0 0 0 0 85168 1 0 0 0 0 89169 1 0 0 0 0 89170 1 0 0 0 0 90171 1 0 0 0 0 M END 3D MOL for NP0021694 (Telomycin)RDKit 3D 171177 0 0 0 0 0 0 0 0999 V2000 1.6591 7.4618 -0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4428 6.0320 0.0339 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1121 5.2259 -1.0834 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 4.3742 -1.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8807 4.1495 -3.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2005 3.7374 -1.1079 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4609 4.5968 -1.2803 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8946 4.6132 -2.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5645 4.0114 -0.6009 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5124 2.4619 -1.7297 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3248 1.4335 -1.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2019 0.9660 -1.9396 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2141 0.9058 0.1972 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3779 0.9206 1.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5711 0.2927 0.8077 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7521 -0.3241 0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5367 -0.1754 -0.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2582 -1.3968 1.5356 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5396 -2.6860 1.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8760 -3.0833 -0.1163 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6299 -1.6096 1.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7204 -0.7559 1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6102 0.4513 1.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0877 -1.3856 1.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -0.6259 0.6536 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8902 -0.4796 -0.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3682 0.6887 1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6219 0.7674 2.5077 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2710 1.7924 0.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 -0.3001 0.1897 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9745 -1.5048 0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 -0.4410 -1.0675 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5304 -1.4957 -1.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 -1.3774 -3.1285 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9925 -2.8142 -1.4178 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8897 -3.9388 -1.9096 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2688 -4.8018 -0.8984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -4.6498 -3.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -3.6992 -3.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 -3.1272 -1.9713 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5821 -2.9559 -1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5028 -2.8116 -2.3813 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0927 -2.9212 -0.0928 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4899 -4.0318 0.7463 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1640 -4.1928 1.9163 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6143 -5.3097 -0.0601 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0626 -5.5825 -0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1904 -6.4393 0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -1.6225 0.4708 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1185 -0.9800 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7538 -0.3390 2.2381 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5623 -1.1075 0.8432 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4883 -1.5602 1.8722 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8784 -2.8353 2.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6622 -2.3360 1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5848 -3.0698 0.1337 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0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 46 48 1 0 43 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 2 0 52 64 1 0 64 65 1 0 65 66 2 0 65 67 1 0 67 68 2 0 68 69 1 0 69 70 2 0 70 71 1 0 71 72 1 0 72 73 2 0 73 74 1 0 74 75 2 0 75 76 1 0 76 77 2 0 67 78 1 0 78 79 1 0 79 80 2 0 79 81 1 0 81 82 1 0 82 83 1 0 82 84 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 2 0 87 89 1 0 89 90 1 0 90 91 1 0 91 92 2 0 91 2 1 0 40 35 1 0 63 55 1 0 77 69 1 0 86 81 1 0 63 58 1 0 77 72 1 0 1 93 1 0 1 94 1 0 1 95 1 0 2 96 1 1 3 97 1 0 6 98 1 1 7 99 1 1 8100 1 0 8101 1 0 8102 1 0 9103 1 0 10104 1 0 13105 1 1 14106 1 0 14107 1 0 15108 1 0 18109 1 1 19110 1 0 19111 1 0 20112 1 0 21113 1 0 24114 1 0 24115 1 0 25116 1 6 26117 1 0 26118 1 0 29119 1 0 30120 1 1 31121 1 0 31122 1 0 31123 1 0 35124 1 1 36125 1 6 37126 1 0 38127 1 0 38128 1 0 39129 1 0 39130 1 0 43131 1 6 44132 1 1 45133 1 0 46134 1 6 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0 0 0 0 0 0 0 0 0 -11.1417 1.9802 -4.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2665 0.9265 -4.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1814 0.7092 -3.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9605 1.5145 -2.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2297 2.0747 -1.0468 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3097 2.7539 -0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1646 2.9761 -0.8868 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2777 3.2987 1.1011 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5524 3.1793 1.9084 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3823 4.3131 1.7215 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0194 3.2296 3.3430 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7901 2.3714 3.1678 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1950 2.9937 1.9644 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8466 3.2592 1.7635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 2.5736 2.3368 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3319 4.3436 0.8881 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3779 5.1293 1.6389 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4805 6.1145 1.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4477 7.2911 1.7159 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1534 7.5517 -1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7349 7.5710 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 8.2293 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 5.6827 0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 5.2242 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9995 3.6672 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 5.6114 -0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6527 5.4291 -2.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4075 3.6570 -3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 4.8887 -3.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 4.5161 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 2.2781 -2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4489 1.7158 0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0263 0.6752 2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6094 2.0390 1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7179 1.0661 -0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9440 -1.0199 2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4754 -2.6962 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9628 -3.4994 1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4827 -2.4331 -0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9256 -2.6831 1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0346 -2.4597 0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3450 -1.4396 2.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1194 -1.2318 0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4502 -1.3712 -1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8558 -0.5000 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3725 2.7413 0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4148 -0.0966 0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 -2.0387 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7842 -1.1941 1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4695 -2.1484 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 -2.8278 -0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8166 -3.4503 -2.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 -4.7893 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8437 -5.6200 -2.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8327 -4.8219 -3.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3301 -2.9339 -4.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2491 -4.2903 -3.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1985 -3.2250 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5652 -3.8667 1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 -4.9706 2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0283 -5.3738 -0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 -6.6698 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7748 -5.0864 0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3176 -5.2752 -1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2571 -7.2649 0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 -6.8499 1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 -6.0351 1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1993 -1.0400 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8026 0.1568 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8522 -0.9268 2.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 -3.6648 1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9306 -2.5489 3.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5831 -3.1000 3.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7214 -3.1572 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9346 -4.4101 -0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3452 -4.6087 0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4706 -3.8449 2.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3258 -2.2562 4.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0504 -1.4468 3.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9137 -1.2785 -1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2046 -0.4860 -1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7629 2.9110 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8524 4.0599 -0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5634 3.6290 -3.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9802 2.1411 -5.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4453 0.2825 -5.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5264 -0.1214 -3.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7932 2.8345 -1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2304 4.4633 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1236 2.2891 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6613 4.6114 2.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7381 2.8736 4.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7299 4.3138 3.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1423 1.3530 3.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1112 2.4485 4.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1536 4.9714 0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8035 3.7790 0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3084 4.9477 2.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 13 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 43 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 52 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 65 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 75 76 1 0 0 0 0 76 77 2 0 0 0 0 67 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 2 0 0 0 0 79 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 2 0 0 0 0 87 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 2 0 0 0 0 91 2 1 0 0 0 0 40 35 1 0 0 0 0 63 55 1 0 0 0 0 77 69 1 0 0 0 0 86 81 1 0 0 0 0 63 58 1 0 0 0 0 77 72 1 0 0 0 0 1 93 1 0 0 0 0 1 94 1 0 0 0 0 1 95 1 0 0 0 0 2 96 1 1 0 0 0 3 97 1 0 0 0 0 6 98 1 1 0 0 0 7 99 1 1 0 0 0 8100 1 0 0 0 0 8101 1 0 0 0 0 8102 1 0 0 0 0 9103 1 0 0 0 0 10104 1 0 0 0 0 13105 1 1 0 0 0 14106 1 0 0 0 0 14107 1 0 0 0 0 15108 1 0 0 0 0 18109 1 1 0 0 0 19110 1 0 0 0 0 19111 1 0 0 0 0 20112 1 0 0 0 0 21113 1 0 0 0 0 24114 1 0 0 0 0 24115 1 0 0 0 0 25116 1 6 0 0 0 26117 1 0 0 0 0 26118 1 0 0 0 0 29119 1 0 0 0 0 30120 1 1 0 0 0 31121 1 0 0 0 0 31122 1 0 0 0 0 31123 1 0 0 0 0 35124 1 1 0 0 0 36125 1 6 0 0 0 37126 1 0 0 0 0 38127 1 0 0 0 0 38128 1 0 0 0 0 39129 1 0 0 0 0 39130 1 0 0 0 0 43131 1 6 0 0 0 44132 1 1 0 0 0 45133 1 0 0 0 0 46134 1 6 0 0 0 47135 1 0 0 0 0 47136 1 0 0 0 0 47137 1 0 0 0 0 48138 1 0 0 0 0 48139 1 0 0 0 0 48140 1 0 0 0 0 49141 1 0 0 0 0 52142 1 1 0 0 0 53143 1 1 0 0 0 54144 1 0 0 0 0 54145 1 0 0 0 0 54146 1 0 0 0 0 56147 1 0 0 0 0 57148 1 0 0 0 0 59149 1 0 0 0 0 60150 1 0 0 0 0 61151 1 0 0 0 0 62152 1 0 0 0 0 64153 1 0 0 0 0 68154 1 0 0 0 0 70155 1 0 0 0 0 71156 1 0 0 0 0 73157 1 0 0 0 0 74158 1 0 0 0 0 75159 1 0 0 0 0 76160 1 0 0 0 0 78161 1 0 0 0 0 81162 1 6 0 0 0 82163 1 1 0 0 0 83164 1 0 0 0 0 84165 1 0 0 0 0 84166 1 0 0 0 0 85167 1 0 0 0 0 85168 1 0 0 0 0 89169 1 0 0 0 0 89170 1 0 0 0 0 90171 1 0 0 0 0 M END > <DATABASE_ID> NP0021694 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(=O)[C@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@]2([H])C(=O)N([H])\C(=C(\[H])C2=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C23)C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N2C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]2([H])C(=O)O[C@@]1([H])C([H])([H])[H])[C@@]([H])(O[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H])C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[H])C([H])([H])O[H] > <INCHI_IDENTIFIER> InChI=1S/C60H79N13O19/c1-26(2)50(80)47-58(88)73-18-16-42(77)49(73)60(91)92-30(6)35(23-64-53(83)40(25-74)67-43(78)20-36(61)59(89)90)52(82)70-46(29(5)75)56(86)66-28(4)51(81)65-24-44(79)72-17-15-41(76)48(72)57(87)68-39(19-31-21-62-37-13-9-7-11-32(31)37)54(84)69-45(55(85)71-47)27(3)34-22-63-38-14-10-8-12-33(34)38/h7-14,19,21-22,26-30,35-36,40-42,45-50,62-63,74-77,80H,15-18,20,23-25,61H2,1-6H3,(H,64,83)(H,65,81)(H,66,86)(H,67,78)(H,68,87)(H,69,84)(H,70,82)(H,71,85)(H,89,90)/b39-19-/t27-,28+,29+,30+,35-,36-,40-,41-,42+,45+,46+,47-,48-,49+,50+/m1/s1 > <INCHI_KEY> NAUSZDMZRHELKZ-UHFFFAOYSA-N > <FORMULA> C60H79N13O19 > <MOLECULAR_WEIGHT> 1286.364 > <EXACT_MASS> 1285.561517376 > <JCHEM_ACCEPTOR_COUNT> 19 > <JCHEM_ATOM_COUNT> 171 > <JCHEM_AVERAGE_POLARIZABILITY> 131.6939508813771 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 17 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2R)-2-amino-3-{[(1R)-1-({[(3R,9Z,12R,13R,21S,24S,27R,28S,31S,32S)-13,32-dihydroxy-3-[(1S)-1-hydroxy-2-methylpropyl]-24-[(1S)-1-hydroxyethyl]-6-[(1R)-1-(1H-indol-3-yl)ethyl]-9-[(1H-indol-3-yl)methylidene]-21,28-dimethyl-2,5,8,11,17,20,23,26,30-nonaoxo-29-oxa-1,4,7,10,16,19,22,25-octaazatricyclo[29.3.0.0^{12,16}]tetratriacontan-27-yl]methyl}carbamoyl)-2-hydroxyethyl]carbamoyl}propanoic acid > <ALOGPS_LOGP> -1.06 > <JCHEM_LOGP> -8.796449964326897 > <ALOGPS_LOGS> -3.91 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 7 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 11.208287098543332 > <JCHEM_PKA_STRONGEST_ACIDIC> 1.832476746093028 > <JCHEM_PKA_STRONGEST_BASIC> 8.43236533687783 > <JCHEM_POLAR_SURFACE_AREA> 495.7699999999999 > <JCHEM_REFRACTIVITY> 320.42350000000016 > <JCHEM_ROTATABLE_BOND_COUNT> 14 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.60e-01 g/l > <JCHEM_TRADITIONAL_IUPAC> (2R)-2-amino-3-{[(1R)-1-({[(3R,9Z,12R,13R,21S,24S,27R,28S,31S,32S)-13,32-dihydroxy-3-[(1S)-1-hydroxy-2-methylpropyl]-24-[(1S)-1-hydroxyethyl]-6-[(1R)-1-(1H-indol-3-yl)ethyl]-9-(1H-indol-3-ylmethylidene)-21,28-dimethyl-2,5,8,11,17,20,23,26,30-nonaoxo-29-oxa-1,4,7,10,16,19,22,25-octaazatricyclo[29.3.0.0^{12,16}]tetratriacontan-27-yl]methyl}carbamoyl)-2-hydroxyethyl]carbamoyl}propanoic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0021694 (Telomycin)RDKit 3D 171177 0 0 0 0 0 0 0 0999 V2000 1.6591 7.4618 -0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4428 6.0320 0.0339 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1121 5.2259 -1.0834 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 4.3742 -1.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8807 4.1495 -3.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2005 3.7374 -1.1079 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4609 4.5968 -1.2803 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8946 4.6132 -2.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5645 4.0114 -0.6009 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5124 2.4619 -1.7297 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3248 1.4335 -1.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2019 0.9660 -1.9396 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2141 0.9058 0.1972 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3779 0.9206 1.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5711 0.2927 0.8077 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7521 -0.3241 0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5367 -0.1754 -0.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2582 -1.3968 1.5356 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5396 -2.6860 1.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8760 -3.0833 -0.1163 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6299 -1.6096 1.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7204 -0.7559 1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6102 0.4513 1.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0877 -1.3856 1.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -0.6259 0.6536 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8902 -0.4796 -0.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3682 0.6887 1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6219 0.7674 2.5077 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2710 1.7924 0.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 -0.3001 0.1897 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9745 -1.5048 0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 -0.4410 -1.0675 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5304 -1.4957 -1.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 -1.3774 -3.1285 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9925 -2.8142 -1.4178 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8897 -3.9388 -1.9096 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2688 -4.8018 -0.8984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -4.6498 -3.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -3.6992 -3.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 -3.1272 -1.9713 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5821 -2.9559 -1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5028 -2.8116 -2.3813 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0927 -2.9212 -0.0928 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4899 -4.0318 0.7463 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1640 -4.1928 1.9163 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6143 -5.3097 -0.0601 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0626 -5.5825 -0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1904 -6.4393 0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -1.6225 0.4708 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1185 -0.9800 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7538 -0.3390 2.2381 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5623 -1.1075 0.8432 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4883 -1.5602 1.8722 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8784 -2.8353 2.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6622 -2.3360 1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5848 -3.0698 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7234 -3.7680 -0.0795 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5441 -3.4673 0.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8215 -3.9098 1.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4587 -3.4672 2.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8004 -2.5786 3.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5312 -2.1470 2.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8792 -2.5714 1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7766 -0.9630 -0.5258 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7877 -0.4781 -1.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0601 -1.2850 -2.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6055 0.7359 -1.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9021 0.5356 -1.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9614 1.5113 -1.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2975 2.5888 -0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3853 3.2035 -1.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8090 2.5600 -2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8903 2.7968 -3.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1417 1.9802 -4.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2665 0.9265 -4.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1814 0.7092 -3.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9605 1.5145 -2.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2297 2.0747 -1.0468 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3097 2.7539 -0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1646 2.9761 -0.8868 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2777 3.2987 1.1011 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5524 3.1793 1.9084 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3823 4.3131 1.7215 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0194 3.2296 3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7901 2.3714 3.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 2.9937 1.9644 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8466 3.2592 1.7635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 2.5736 2.3368 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3319 4.3436 0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 5.1293 1.6389 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4805 6.1145 1.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4477 7.2911 1.7159 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1534 7.5517 -1.5094 H 0 0 0 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0.00 C+0 HETATM 7 C UNK 0 4.461 4.597 -1.280 0.00 0.00 C+0 HETATM 8 C UNK 0 4.895 4.613 -2.747 0.00 0.00 C+0 HETATM 9 O UNK 0 5.564 4.011 -0.601 0.00 0.00 O+0 HETATM 10 N UNK 0 3.512 2.462 -1.730 0.00 0.00 N+0 HETATM 11 C UNK 0 4.325 1.434 -1.156 0.00 0.00 C+0 HETATM 12 O UNK 0 5.202 0.966 -1.940 0.00 0.00 O+0 HETATM 13 C UNK 0 4.214 0.906 0.197 0.00 0.00 C+0 HETATM 14 C UNK 0 5.378 0.921 1.075 0.00 0.00 C+0 HETATM 15 N UNK 0 6.571 0.293 0.808 0.00 0.00 N+0 HETATM 16 C UNK 0 7.752 -0.324 0.536 0.00 0.00 C+0 HETATM 17 O UNK 0 8.537 -0.175 -0.406 0.00 0.00 O+0 HETATM 18 C UNK 0 8.258 -1.397 1.536 0.00 0.00 C+0 HETATM 19 C UNK 0 7.540 -2.686 1.197 0.00 0.00 C+0 HETATM 20 O UNK 0 7.876 -3.083 -0.116 0.00 0.00 O+0 HETATM 21 N UNK 0 9.630 -1.610 1.463 0.00 0.00 N+0 HETATM 22 C UNK 0 10.720 -0.756 1.256 0.00 0.00 C+0 HETATM 23 O UNK 0 10.610 0.451 1.036 0.00 0.00 O+0 HETATM 24 C UNK 0 12.088 -1.386 1.303 0.00 0.00 C+0 HETATM 25 C UNK 0 13.154 -0.626 0.654 0.00 0.00 C+0 HETATM 26 N UNK 0 12.890 -0.480 -0.773 0.00 0.00 N+0 HETATM 27 C UNK 0 13.368 0.689 1.295 0.00 0.00 C+0 HETATM 28 O UNK 0 13.622 0.767 2.508 0.00 0.00 O+0 HETATM 29 O UNK 0 13.271 1.792 0.482 0.00 0.00 O+0 HETATM 30 C UNK 0 3.312 -0.300 0.190 0.00 0.00 C+0 HETATM 31 C UNK 0 3.974 -1.505 0.797 0.00 0.00 C+0 HETATM 32 O UNK 0 2.807 -0.441 -1.067 0.00 0.00 O+0 HETATM 33 C UNK 0 2.530 -1.496 -1.874 0.00 0.00 C+0 HETATM 34 O UNK 0 2.742 -1.377 -3.128 0.00 0.00 O+0 HETATM 35 C UNK 0 1.992 -2.814 -1.418 0.00 0.00 C+0 HETATM 36 C UNK 0 2.890 -3.939 -1.910 0.00 0.00 C+0 HETATM 37 O UNK 0 3.269 -4.802 -0.898 0.00 0.00 O+0 HETATM 38 C UNK 0 2.193 -4.650 -3.002 0.00 0.00 C+0 HETATM 39 C UNK 0 1.060 -3.699 -3.303 0.00 0.00 C+0 HETATM 40 N UNK 0 0.711 -3.127 -1.971 0.00 0.00 N+0 HETATM 41 C UNK 0 -0.582 -2.956 -1.470 0.00 0.00 C+0 HETATM 42 O UNK 0 -1.503 -2.812 -2.381 0.00 0.00 O+0 HETATM 43 C UNK 0 -1.093 -2.921 -0.093 0.00 0.00 C+0 HETATM 44 C UNK 0 -0.490 -4.032 0.746 0.00 0.00 C+0 HETATM 45 O UNK 0 -1.164 -4.193 1.916 0.00 0.00 O+0 HETATM 46 C UNK 0 -0.614 -5.310 -0.060 0.00 0.00 C+0 HETATM 47 C UNK 0 -2.063 -5.582 -0.385 0.00 0.00 C+0 HETATM 48 C UNK 0 -0.190 -6.439 0.884 0.00 0.00 C+0 HETATM 49 N UNK 0 -1.081 -1.623 0.471 0.00 0.00 N+0 HETATM 50 C UNK 0 -2.119 -0.980 1.249 0.00 0.00 C+0 HETATM 51 O UNK 0 -1.754 -0.339 2.238 0.00 0.00 O+0 HETATM 52 C UNK 0 -3.562 -1.107 0.843 0.00 0.00 C+0 HETATM 53 C UNK 0 -4.488 -1.560 1.872 0.00 0.00 C+0 HETATM 54 C UNK 0 -3.878 -2.835 2.629 0.00 0.00 C+0 HETATM 55 C UNK 0 -5.662 -2.336 1.271 0.00 0.00 C+0 HETATM 56 C UNK 0 -5.585 -3.070 0.134 0.00 0.00 C+0 HETATM 57 N UNK 0 -6.723 -3.768 -0.080 0.00 0.00 N+0 HETATM 58 C UNK 0 -7.544 -3.467 0.964 0.00 0.00 C+0 HETATM 59 C UNK 0 -8.822 -3.910 1.285 0.00 0.00 C+0 HETATM 60 C UNK 0 -9.459 -3.467 2.438 0.00 0.00 C+0 HETATM 61 C UNK 0 -8.800 -2.579 3.273 0.00 0.00 C+0 HETATM 62 C UNK 0 -7.531 -2.147 2.957 0.00 0.00 C+0 HETATM 63 C UNK 0 -6.879 -2.571 1.810 0.00 0.00 C+0 HETATM 64 N UNK 0 -3.777 -0.963 -0.526 0.00 0.00 N+0 HETATM 65 C UNK 0 -4.788 -0.478 -1.335 0.00 0.00 C+0 HETATM 66 O UNK 0 -5.060 -1.285 -2.363 0.00 0.00 O+0 HETATM 67 C UNK 0 -5.606 0.736 -1.294 0.00 0.00 C+0 HETATM 68 C UNK 0 -6.902 0.536 -1.624 0.00 0.00 C+0 HETATM 69 C UNK 0 -7.961 1.511 -1.679 0.00 0.00 C+0 HETATM 70 C UNK 0 -8.297 2.589 -0.896 0.00 0.00 C+0 HETATM 71 N UNK 0 -9.385 3.204 -1.346 0.00 0.00 N+0 HETATM 72 C UNK 0 -9.809 2.560 -2.439 0.00 0.00 C+0 HETATM 73 C UNK 0 -10.890 2.797 -3.276 0.00 0.00 C+0 HETATM 74 C UNK 0 -11.142 1.980 -4.375 0.00 0.00 C+0 HETATM 75 C UNK 0 -10.267 0.927 -4.592 0.00 0.00 C+0 HETATM 76 C UNK 0 -9.181 0.709 -3.730 0.00 0.00 C+0 HETATM 77 C UNK 0 -8.960 1.515 -2.672 0.00 0.00 C+0 HETATM 78 N UNK 0 -5.230 2.075 -1.047 0.00 0.00 N+0 HETATM 79 C UNK 0 -4.310 2.754 -0.253 0.00 0.00 C+0 HETATM 80 O UNK 0 -3.165 2.976 -0.887 0.00 0.00 O+0 HETATM 81 C UNK 0 -4.278 3.299 1.101 0.00 0.00 C+0 HETATM 82 C UNK 0 -5.552 3.179 1.908 0.00 0.00 C+0 HETATM 83 O UNK 0 -6.382 4.313 1.722 0.00 0.00 O+0 HETATM 84 C UNK 0 -5.019 3.230 3.343 0.00 0.00 C+0 HETATM 85 C UNK 0 -3.790 2.371 3.168 0.00 0.00 C+0 HETATM 86 N UNK 0 -3.195 2.994 1.964 0.00 0.00 N+0 HETATM 87 C UNK 0 -1.847 3.259 1.764 0.00 0.00 C+0 HETATM 88 O UNK 0 -0.930 2.574 2.337 0.00 0.00 O+0 HETATM 89 C UNK 0 -1.332 4.344 0.888 0.00 0.00 C+0 HETATM 90 N UNK 0 -0.378 5.129 1.639 0.00 0.00 N+0 HETATM 91 C UNK 0 0.481 6.114 1.142 0.00 0.00 C+0 HETATM 92 O UNK 0 0.448 7.291 1.716 0.00 0.00 O+0 HETATM 93 H UNK 0 1.153 7.552 -1.509 0.00 0.00 H+0 HETATM 94 H UNK 0 2.735 7.571 -0.685 0.00 0.00 H+0 HETATM 95 H UNK 0 1.247 8.229 0.158 0.00 0.00 H+0 HETATM 96 H UNK 0 2.401 5.683 0.495 0.00 0.00 H+0 HETATM 97 H UNK 0 0.160 5.224 -1.480 0.00 0.00 H+0 HETATM 98 H UNK 0 2.999 3.667 -0.018 0.00 0.00 H+0 HETATM 99 H UNK 0 4.261 5.611 -0.978 0.00 0.00 H+0 HETATM 100 H UNK 0 5.653 5.429 -2.812 0.00 0.00 H+0 HETATM 101 H UNK 0 5.407 3.657 -3.030 0.00 0.00 H+0 HETATM 102 H UNK 0 4.063 4.889 -3.373 0.00 0.00 H+0 HETATM 103 H UNK 0 5.721 4.516 0.225 0.00 0.00 H+0 HETATM 104 H UNK 0 3.072 2.278 -2.687 0.00 0.00 H+0 HETATM 105 H UNK 0 3.449 1.716 0.687 0.00 0.00 H+0 HETATM 106 H UNK 0 5.026 0.675 2.172 0.00 0.00 H+0 HETATM 107 H UNK 0 5.609 2.039 1.285 0.00 0.00 H+0 HETATM 108 H UNK 0 6.718 1.066 -0.304 0.00 0.00 H+0 HETATM 109 H UNK 0 7.944 -1.020 2.538 0.00 0.00 H+0 HETATM 110 H UNK 0 6.475 -2.696 1.313 0.00 0.00 H+0 HETATM 111 H UNK 0 7.963 -3.499 1.864 0.00 0.00 H+0 HETATM 112 H UNK 0 7.483 -2.433 -0.747 0.00 0.00 H+0 HETATM 113 H UNK 0 9.926 -2.683 1.639 0.00 0.00 H+0 HETATM 114 H UNK 0 12.035 -2.460 0.996 0.00 0.00 H+0 HETATM 115 H UNK 0 12.345 -1.440 2.417 0.00 0.00 H+0 HETATM 116 H UNK 0 14.119 -1.232 0.793 0.00 0.00 H+0 HETATM 117 H UNK 0 12.450 -1.371 -1.169 0.00 0.00 H+0 HETATM 118 H UNK 0 13.856 -0.500 -1.227 0.00 0.00 H+0 HETATM 119 H UNK 0 13.373 2.741 0.845 0.00 0.00 H+0 HETATM 120 H UNK 0 2.415 -0.097 0.873 0.00 0.00 H+0 HETATM 121 H UNK 0 3.259 -2.039 1.457 0.00 0.00 H+0 HETATM 122 H UNK 0 4.784 -1.194 1.521 0.00 0.00 H+0 HETATM 123 H UNK 0 4.470 -2.148 0.050 0.00 0.00 H+0 HETATM 124 H UNK 0 2.037 -2.828 -0.341 0.00 0.00 H+0 HETATM 125 H UNK 0 3.817 -3.450 -2.382 0.00 0.00 H+0 HETATM 126 H UNK 0 4.238 -4.789 -0.743 0.00 0.00 H+0 HETATM 127 H UNK 0 1.844 -5.620 -2.639 0.00 0.00 H+0 HETATM 128 H UNK 0 2.833 -4.822 -3.891 0.00 0.00 H+0 HETATM 129 H UNK 0 1.330 -2.934 -4.015 0.00 0.00 H+0 HETATM 130 H UNK 0 0.249 -4.290 -3.725 0.00 0.00 H+0 HETATM 131 H UNK 0 -2.199 -3.225 -0.115 0.00 0.00 H+0 HETATM 132 H UNK 0 0.565 -3.867 1.026 0.00 0.00 H+0 HETATM 133 H UNK 0 -1.716 -4.971 2.009 0.00 0.00 H+0 HETATM 134 H UNK 0 0.028 -5.374 -0.933 0.00 0.00 H+0 HETATM 135 H UNK 0 -2.261 -6.670 -0.339 0.00 0.00 H+0 HETATM 136 H UNK 0 -2.775 -5.086 0.287 0.00 0.00 H+0 HETATM 137 H UNK 0 -2.318 -5.275 -1.404 0.00 0.00 H+0 HETATM 138 H UNK 0 0.257 -7.265 0.303 0.00 0.00 H+0 HETATM 139 H UNK 0 -1.105 -6.850 1.390 0.00 0.00 H+0 HETATM 140 H UNK 0 0.510 -6.035 1.660 0.00 0.00 H+0 HETATM 141 H UNK 0 -0.199 -1.040 0.307 0.00 0.00 H+0 HETATM 142 H UNK 0 -3.803 0.157 1.057 0.00 0.00 H+0 HETATM 143 H UNK 0 -4.852 -0.927 2.643 0.00 0.00 H+0 HETATM 144 H UNK 0 -3.814 -3.665 1.939 0.00 0.00 H+0 HETATM 145 H UNK 0 -2.931 -2.549 3.044 0.00 0.00 H+0 HETATM 146 H UNK 0 -4.583 -3.100 3.451 0.00 0.00 H+0 HETATM 147 H UNK 0 -4.721 -3.157 -0.550 0.00 0.00 H+0 HETATM 148 H UNK 0 -6.935 -4.410 -0.869 0.00 0.00 H+0 HETATM 149 H UNK 0 -9.345 -4.609 0.641 0.00 0.00 H+0 HETATM 150 H UNK 0 -10.471 -3.845 2.660 0.00 0.00 H+0 HETATM 151 H UNK 0 -9.326 -2.256 4.157 0.00 0.00 H+0 HETATM 152 H UNK 0 -7.050 -1.447 3.627 0.00 0.00 H+0 HETATM 153 H UNK 0 -2.914 -1.278 -1.142 0.00 0.00 H+0 HETATM 154 H UNK 0 -7.205 -0.486 -1.882 0.00 0.00 H+0 HETATM 155 H UNK 0 -7.763 2.911 -0.019 0.00 0.00 H+0 HETATM 156 H UNK 0 -9.852 4.060 -0.930 0.00 0.00 H+0 HETATM 157 H UNK 0 -11.563 3.629 -3.077 0.00 0.00 H+0 HETATM 158 H UNK 0 -11.980 2.141 -5.039 0.00 0.00 H+0 HETATM 159 H UNK 0 -10.445 0.283 -5.437 0.00 0.00 H+0 HETATM 160 H UNK 0 -8.526 -0.121 -3.933 0.00 0.00 H+0 HETATM 161 H UNK 0 -5.793 2.834 -1.683 0.00 0.00 H+0 HETATM 162 H UNK 0 -4.230 4.463 0.896 0.00 0.00 H+0 HETATM 163 H UNK 0 -6.124 2.289 1.760 0.00 0.00 H+0 HETATM 164 H UNK 0 -6.661 4.611 2.593 0.00 0.00 H+0 HETATM 165 H UNK 0 -5.738 2.874 4.081 0.00 0.00 H+0 HETATM 166 H UNK 0 -4.730 4.314 3.492 0.00 0.00 H+0 HETATM 167 H UNK 0 -4.142 1.353 3.007 0.00 0.00 H+0 HETATM 168 H UNK 0 -3.111 2.449 4.058 0.00 0.00 H+0 HETATM 169 H UNK 0 -2.154 4.971 0.541 0.00 0.00 H+0 HETATM 170 H UNK 0 -0.804 3.779 0.056 0.00 0.00 H+0 HETATM 171 H UNK 0 -0.308 4.948 2.674 0.00 0.00 H+0 CONECT 1 2 93 94 95 CONECT 2 1 3 91 96 CONECT 3 2 4 97 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 10 98 CONECT 7 6 8 9 99 CONECT 8 7 100 101 102 CONECT 9 7 103 CONECT 10 6 11 104 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 30 105 CONECT 14 13 15 106 107 CONECT 15 14 16 108 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 21 109 CONECT 19 18 20 110 111 CONECT 20 19 112 CONECT 21 18 22 113 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 114 115 CONECT 25 24 26 27 116 CONECT 26 25 117 118 CONECT 27 25 28 29 CONECT 28 27 CONECT 29 27 119 CONECT 30 13 31 32 120 CONECT 31 30 121 122 123 CONECT 32 30 33 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 40 124 CONECT 36 35 37 38 125 CONECT 37 36 126 CONECT 38 36 39 127 128 CONECT 39 38 40 129 130 CONECT 40 39 41 35 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 44 49 131 CONECT 44 43 45 46 132 CONECT 45 44 133 CONECT 46 44 47 48 134 CONECT 47 46 135 136 137 CONECT 48 46 138 139 140 CONECT 49 43 50 141 CONECT 50 49 51 52 CONECT 51 50 CONECT 52 50 53 64 142 CONECT 53 52 54 55 143 CONECT 54 53 144 145 146 CONECT 55 53 56 63 CONECT 56 55 57 147 CONECT 57 56 58 148 CONECT 58 57 59 63 CONECT 59 58 60 149 CONECT 60 59 61 150 CONECT 61 60 62 151 CONECT 62 61 63 152 CONECT 63 62 55 58 CONECT 64 52 65 153 CONECT 65 64 66 67 CONECT 66 65 CONECT 67 65 68 78 CONECT 68 67 69 154 CONECT 69 68 70 77 CONECT 70 69 71 155 CONECT 71 70 72 156 CONECT 72 71 73 77 CONECT 73 72 74 157 CONECT 74 73 75 158 CONECT 75 74 76 159 CONECT 76 75 77 160 CONECT 77 76 69 72 CONECT 78 67 79 161 CONECT 79 78 80 81 CONECT 80 79 CONECT 81 79 82 86 162 CONECT 82 81 83 84 163 CONECT 83 82 164 CONECT 84 82 85 165 166 CONECT 85 84 86 167 168 CONECT 86 85 87 81 CONECT 87 86 88 89 CONECT 88 87 CONECT 89 87 90 169 170 CONECT 90 89 91 171 CONECT 91 90 92 2 CONECT 92 91 CONECT 93 1 CONECT 94 1 CONECT 95 1 CONECT 96 2 CONECT 97 3 CONECT 98 6 CONECT 99 7 CONECT 100 8 CONECT 101 8 CONECT 102 8 CONECT 103 9 CONECT 104 10 CONECT 105 13 CONECT 106 14 CONECT 107 14 CONECT 108 15 CONECT 109 18 CONECT 110 19 CONECT 111 19 CONECT 112 20 CONECT 113 21 CONECT 114 24 CONECT 115 24 CONECT 116 25 CONECT 117 26 CONECT 118 26 CONECT 119 29 CONECT 120 30 CONECT 121 31 CONECT 122 31 CONECT 123 31 CONECT 124 35 CONECT 125 36 CONECT 126 37 CONECT 127 38 CONECT 128 38 CONECT 129 39 CONECT 130 39 CONECT 131 43 CONECT 132 44 CONECT 133 45 CONECT 134 46 CONECT 135 47 CONECT 136 47 CONECT 137 47 CONECT 138 48 CONECT 139 48 CONECT 140 48 CONECT 141 49 CONECT 142 52 CONECT 143 53 CONECT 144 54 CONECT 145 54 CONECT 146 54 CONECT 147 56 CONECT 148 57 CONECT 149 59 CONECT 150 60 CONECT 151 61 CONECT 152 62 CONECT 153 64 CONECT 154 68 CONECT 155 70 CONECT 156 71 CONECT 157 73 CONECT 158 74 CONECT 159 75 CONECT 160 76 CONECT 161 78 CONECT 162 81 CONECT 163 82 CONECT 164 83 CONECT 165 84 CONECT 166 84 CONECT 167 85 CONECT 168 85 CONECT 169 89 CONECT 170 89 CONECT 171 90 MASTER 0 0 0 0 0 0 0 0 171 0 354 0 END SMILES for NP0021694 (Telomycin)[H]OC(=O)[C@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@]2([H])C(=O)N([H])\C(=C(\[H])C2=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C23)C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N2C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]2([H])C(=O)O[C@@]1([H])C([H])([H])[H])[C@@]([H])(O[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H])C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[H])C([H])([H])O[H] INCHI for NP0021694 (Telomycin)InChI=1S/C60H79N13O19/c1-26(2)50(80)47-58(88)73-18-16-42(77)49(73)60(91)92-30(6)35(23-64-53(83)40(25-74)67-43(78)20-36(61)59(89)90)52(82)70-46(29(5)75)56(86)66-28(4)51(81)65-24-44(79)72-17-15-41(76)48(72)57(87)68-39(19-31-21-62-37-13-9-7-11-32(31)37)54(84)69-45(55(85)71-47)27(3)34-22-63-38-14-10-8-12-33(34)38/h7-14,19,21-22,26-30,35-36,40-42,45-50,62-63,74-77,80H,15-18,20,23-25,61H2,1-6H3,(H,64,83)(H,65,81)(H,66,86)(H,67,78)(H,68,87)(H,69,84)(H,70,82)(H,71,85)(H,89,90)/b39-19-/t27-,28+,29+,30+,35-,36-,40-,41-,42+,45+,46+,47-,48-,49+,50+/m1/s1 3D Structure for NP0021694 (Telomycin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C60H79N13O19 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1286.3640 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1285.56152 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2R)-2-amino-3-{[(1R)-1-({[(3R,9Z,12R,13R,21S,24S,27R,28S,31S,32S)-13,32-dihydroxy-3-[(1S)-1-hydroxy-2-methylpropyl]-24-[(1S)-1-hydroxyethyl]-6-[(1R)-1-(1H-indol-3-yl)ethyl]-9-[(1H-indol-3-yl)methylidene]-21,28-dimethyl-2,5,8,11,17,20,23,26,30-nonaoxo-29-oxa-1,4,7,10,16,19,22,25-octaazatricyclo[29.3.0.0^{12,16}]tetratriacontan-27-yl]methyl}carbamoyl)-2-hydroxyethyl]carbamoyl}propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2R)-2-amino-3-{[(1R)-1-({[(3R,9Z,12R,13R,21S,24S,27R,28S,31S,32S)-13,32-dihydroxy-3-[(1S)-1-hydroxy-2-methylpropyl]-24-[(1S)-1-hydroxyethyl]-6-[(1R)-1-(1H-indol-3-yl)ethyl]-9-(1H-indol-3-ylmethylidene)-21,28-dimethyl-2,5,8,11,17,20,23,26,30-nonaoxo-29-oxa-1,4,7,10,16,19,22,25-octaazatricyclo[29.3.0.0^{12,16}]tetratriacontan-27-yl]methyl}carbamoyl)-2-hydroxyethyl]carbamoyl}propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C)C(O)C1NC(=O)C(NC(=O)C(NC(=O)C2C(O)CCN2C(=O)CNC(=O)C(C)NC(=O)C(NC(=O)C(CNC(=O)C(CO)NC(=O)CC(N)C(O)=O)C(C)OC(=O)C2C(O)CCN2C1=O)C(C)O)=CC1=CNC2=CC=CC=C12)C(C)C1=CNC2=CC=CC=C12 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C60H79N13O19/c1-26(2)50(80)47-58(88)73-18-16-42(77)49(73)60(91)92-30(6)35(23-64-53(83)40(25-74)67-43(78)20-36(61)59(89)90)52(82)70-46(29(5)75)56(86)66-28(4)51(81)65-24-44(79)72-17-15-41(76)48(72)57(87)68-39(19-31-21-62-37-13-9-7-11-32(31)37)54(84)69-45(55(85)71-47)27(3)34-22-63-38-14-10-8-12-33(34)38/h7-14,19,21-22,26-30,35-36,40-42,45-50,62-63,74-77,80H,15-18,20,23-25,61H2,1-6H3,(H,64,83)(H,65,81)(H,66,86)(H,67,78)(H,68,87)(H,69,84)(H,70,82)(H,71,85)(H,89,90) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | NAUSZDMZRHELKZ-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA024641 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 90197 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 99830 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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