Showing NP-Card for AVQSKPPSKRDPPKMQTD (NP0085299)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2022-04-29 05:52:16 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2022-04-29 05:52:16 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0085299 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | AVQSKPPSKRDPPKMQTD | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | AVQSKPPSKRDPPKMQTD is found in Lycopersicon esculentum . | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0085299 (AVQSKPPSKRDPPKMQTD)Mrv1652304292207522D 140143 0 0 1 0 999 V2000 -9.0221 17.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1355 18.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8999 18.8062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.0132 19.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3622 20.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4756 20.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8246 21.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9379 22.2712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5509 18.2994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3152 18.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9663 18.1031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.7306 18.4135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.3816 17.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1460 18.2172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.2594 19.0343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.0238 19.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6748 18.8380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.4391 19.1484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.0902 18.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8545 18.9520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -18.5055 18.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9679 19.7692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.9768 17.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5614 18.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2124 17.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1255 17.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1371 20.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.7970 17.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6837 16.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3347 16.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0991 16.6969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.2213 15.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2683 17.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8529 17.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0885 16.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4286 19.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4845 19.0025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6918 18.7737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4110 17.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5988 17.8533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0044 18.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2766 18.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4213 17.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2385 17.1111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6271 16.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1912 15.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5798 14.9552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4043 14.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7929 14.2002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1439 14.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5325 13.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0965 12.8267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2720 12.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8834 13.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0588 13.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6702 14.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8457 14.3641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4851 12.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0492 11.3985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4378 10.6708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2624 10.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6983 11.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5228 11.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9588 12.0169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7833 11.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1719 11.2619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2193 12.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0019 9.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3905 9.2426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9546 8.5422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3432 7.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9072 7.1140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0843 7.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8862 6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5866 5.8182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6456 4.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3878 4.6350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5325 3.8228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9604 3.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1893 2.4357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6172 1.8412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8460 1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2740 0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5028 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9308 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1596 -1.7257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8164 2.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2443 1.4449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4435 1.6430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2147 2.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4138 2.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 3.4265 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3842 3.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8715 1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0706 1.2467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4986 0.6523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7274 -0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1554 -0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3842 -1.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -1.7257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8121 -2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 0.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1257 0.2559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6752 0.4541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9040 1.2467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7048 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3319 1.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2472 -0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 0.0578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6201 -0.5367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4209 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7938 -0.7349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7641 -1.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3913 -1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9633 -1.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5904 -1.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0184 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4689 1.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1003 0.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5876 2.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1596 3.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3497 3.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7100 4.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1155 5.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9625 4.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2176 6.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1677 7.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 8.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7414 9.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1773 9.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9169 9.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3509 10.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3097 12.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3193 14.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4517 16.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9425 17.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2293 19.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7360 20.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5118 19.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 6 0 0 0 19 23 2 0 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 16 27 2 0 0 0 0 14 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 13 33 2 0 0 0 0 11 34 1 0 0 0 0 34 35 1 0 0 0 0 10 36 2 0 0 0 0 2 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 1 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 40 44 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 0 0 0 0 47 46 1 6 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 47 50 1 0 0 0 0 50 51 1 0 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 52 58 1 0 0 0 0 58 59 1 0 0 0 0 60 59 1 6 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 2 0 0 0 0 60 68 1 0 0 0 0 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2 0 0 0 0 70129 1 0 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 68133 2 0 0 0 0 58134 2 0 0 0 0 50135 2 0 0 0 0 45136 2 0 0 0 0 39137 2 0 0 0 0 38138 1 0 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 37140 1 0 0 0 0 M END 3D MOL for NP0085299 (AVQSKPPSKRDPPKMQTD)RDKit 3D 284287 0 0 0 0 0 0 0 0999 V2000 -3.5263 7.9850 9.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9447 8.2970 8.5663 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 9.0273 7.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9038 9.3660 7.8237 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7712 9.4720 6.5743 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0726 8.4699 5.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 9.1975 4.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4858 8.4741 3.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0078 7.4014 2.8753 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6303 6.3169 3.5567 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 5.1684 3.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 4.9239 1.8365 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9239 4.2151 4.0152 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0080 4.6447 5.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8164 3.6010 6.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9822 3.8888 7.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8238 2.7803 8.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1348 2.7489 7.6535 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 2.8566 3.8688 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4653 2.3028 4.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9183 3.0369 5.5538 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9514 0.9298 4.5645 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0616 -0.0469 5.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3723 0.2422 6.3046 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 0.6594 5.5234 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3735 0.1719 5.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7134 -0.0781 4.0508 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3619 -0.0735 6.3186 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6186 1.1562 7.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 1.6350 6.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4695 0.6643 5.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6341 -0.4957 5.8298 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -1.8574 5.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1462 -2.0583 5.0493 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1005 -2.9869 5.7855 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3202 -3.4947 7.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -4.8560 7.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5151 -4.8291 5.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4618 -4.1254 4.9236 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8242 -4.3050 3.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -3.5451 3.4769 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 -5.2224 2.5904 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4311 -4.9185 1.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7161 -4.8615 2.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8489 -4.5290 1.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6348 -3.1979 0.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5305 -2.1053 1.8915 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 -5.1548 1.5368 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -3.9141 0.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4856 -2.8884 1.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8576 -3.6047 -0.1071 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7903 -3.2521 -1.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7211 -2.2912 -0.9051 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1465 -2.3844 0.2475 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 -2.1078 -0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6178 -2.8901 -1.2323 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9038 -0.9007 -0.0280 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0466 -1.4199 0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -2.1073 2.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5003 -2.6057 2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1108 -3.2619 4.1778 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7267 -2.4639 2.7639 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 -0.2503 -1.1829 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2558 1.0868 -1.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4508 1.7227 -0.7169 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8116 1.8459 -2.6323 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3015 3.1833 -2.6720 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1637 4.3295 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4073 4.2840 -2.5926 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5449 5.7020 -2.6945 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5903 5.8716 -1.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5478 6.7365 -2.5929 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4412 1.1862 -3.9656 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9752 1.9658 -5.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9531 1.0286 -3.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0692 6.9065 1.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1774 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0 129272 1 0 130273 1 6 131274 1 0 131275 1 0 134276 1 0 137277 1 0 M END 3D SDF for NP0085299 (AVQSKPPSKRDPPKMQTD)Mrv1652304292207522D 140143 0 0 1 0 999 V2000 -9.0221 17.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1355 18.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8999 18.8062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.0132 19.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3622 20.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4756 20.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8246 21.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9379 22.2712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5509 18.2994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3152 18.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9663 18.1031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.7306 18.4135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.3816 17.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1460 18.2172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.2594 19.0343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.0238 19.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6748 18.8380 0.0000 C 0 0 1 0 0 0 0 0 0 0 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0 -7.6918 18.7737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4110 17.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5988 17.8533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0044 18.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2766 18.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4213 17.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2385 17.1111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6271 16.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1912 15.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5798 14.9552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4043 14.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7929 14.2002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1439 14.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5325 13.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0965 12.8267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2720 12.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8834 13.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0588 13.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6702 14.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8457 14.3641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4851 12.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0492 11.3985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4378 10.6708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2624 10.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6983 11.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5228 11.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9588 12.0169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7833 11.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1719 11.2619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2193 12.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0019 9.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3905 9.2426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9546 8.5422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3432 7.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9072 7.1140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0843 7.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8862 6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5866 5.8182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6456 4.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3878 4.6350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5325 3.8228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9604 3.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1893 2.4357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6172 1.8412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8460 1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2740 0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5028 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9308 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1596 -1.7257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8164 2.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2443 1.4449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4435 1.6430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2147 2.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4138 2.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 3.4265 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3842 3.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8715 1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0706 1.2467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4986 0.6523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7274 -0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1554 -0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3842 -1.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -1.7257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8121 -2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 0.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1257 0.2559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6752 0.4541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9040 1.2467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7048 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3319 1.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2472 -0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 0.0578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6201 -0.5367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4209 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7938 -0.7349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7641 -1.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3913 -1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9633 -1.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5904 -1.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0184 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4689 1.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1003 0.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5876 2.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1596 3.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3497 3.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7100 4.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1155 5.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9625 4.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2176 6.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1677 7.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 8.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7414 9.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1773 9.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9169 9.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3509 10.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3097 12.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3193 14.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4517 16.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9425 17.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2293 19.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7360 20.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5118 19.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 3 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 6 0 0 0 19 23 2 0 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 16 27 2 0 0 0 0 14 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 13 33 2 0 0 0 0 11 34 1 0 0 0 0 34 35 1 0 0 0 0 10 36 2 0 0 0 0 2 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 1 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 40 44 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 0 0 0 0 47 46 1 6 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 47 50 1 0 0 0 0 50 51 1 0 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 52 58 1 0 0 0 0 58 59 1 0 0 0 0 60 59 1 6 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 2 0 0 0 0 60 68 1 0 0 0 0 68 69 1 0 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 6 0 0 0 79 80 1 0 0 0 0 81 80 1 6 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 81 87 1 0 0 0 0 87 88 1 0 0 0 0 89 88 1 1 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 89 94 1 0 0 0 0 94 95 1 0 0 0 0 96 95 1 6 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 96102 1 0 0 0 0 102103 1 0 0 0 0 104103 1 1 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 105107 1 6 0 0 0 104108 1 0 0 0 0 108109 1 0 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112114 2 0 0 0 0 110115 1 0 0 0 0 115116 1 0 0 0 0 115117 2 0 0 0 0 108118 2 0 0 0 0 102119 2 0 0 0 0 94120 2 0 0 0 0 87121 2 0 0 0 0 79122 2 0 0 0 0 78123 1 0 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 77125 1 0 0 0 0 76126 2 0 0 0 0 75127 1 0 0 0 0 72127 1 0 0 0 0 71128 2 0 0 0 0 70129 1 0 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 68133 2 0 0 0 0 58134 2 0 0 0 0 50135 2 0 0 0 0 45136 2 0 0 0 0 39137 2 0 0 0 0 38138 1 0 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 37140 1 0 0 0 0 M END > <DATABASE_ID> NP0085299 > <DATABASE_NAME> NP-MRD > <SMILES> CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCN(C1)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O > <INCHI_IDENTIFIER> InChI=1S/C85H144N26O28S/c1-43(2)65(106-67(121)44(3)89)78(132)100-50(23-25-61(90)115)71(125)104-56(41-112)75(129)101-53(18-8-11-31-88)82(136)111-35-15-22-60(111)83(137)110-34-14-21-59(110)77(131)105-57(42-113)74(128)96-47(16-6-9-29-86)68(122)95-49(19-12-32-94-85(92)93)70(124)102-54(38-63(117)118)81(135)108-36-27-46(40-108)80(134)109-33-13-20-58(109)76(130)99-48(17-7-10-30-87)69(123)98-52(28-37-140-5)72(126)97-51(24-26-62(91)116)73(127)107-66(45(4)114)79(133)103-55(84(138)139)39-64(119)120/h43-60,65-66,112-114H,6-42,86-89H2,1-5H3,(H2,90,115)(H2,91,116)(H,95,122)(H,96,128)(H,97,126)(H,98,123)(H,99,130)(H,100,132)(H,101,129)(H,102,124)(H,103,133)(H,104,125)(H,105,131)(H,106,121)(H,107,127)(H,117,118)(H,119,120)(H,138,139)(H4,92,93,94)/t44-,45+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1 > <INCHI_KEY> RAPQZUTWEHDGAT-KEPHFFBJSA-N > <FORMULA> C85H144N26O28S > <MOLECULAR_WEIGHT> 2010.3 > <EXACT_MASS> 2009.036409275 > <JCHEM_ACCEPTOR_COUNT> 35 > <JCHEM_ATOM_COUNT> 284 > <JCHEM_AVERAGE_POLARIZABILITY> 204.98666396279432 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 28 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(3R)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]hexanamido]-5-carbamimidamidopentanamido]-3-carboxypropanoyl]pyrrolidine-3-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-hydroxybutanamido]butanedioic acid > <ALOGPS_LOGP> -2.65 > <JCHEM_LOGP> -21.53621029525336 > <ALOGPS_LOGS> -3.91 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> 2 > <JCHEM_PKA> 3.652832782168654 > <JCHEM_PKA_STRONGEST_ACIDIC> 2.948070234493471 > <JCHEM_PKA_STRONGEST_BASIC> 11.927514945390817 > <JCHEM_POLAR_SURFACE_AREA> 884.2900000000005 > <JCHEM_REFRACTIVITY> 503.35810000000015 > <JCHEM_ROTATABLE_BOND_COUNT> 64 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 2.48e-01 g/l > <JCHEM_TRADITIONAL_IUPAC> (2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(3R)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]hexanamido]-5-carbamimidamidopentanamido]-3-carboxypropanoyl]pyrrolidine-3-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-hydroxybutanamido]butanedioic acid > <JCHEM_VEBER_RULE> 0 $$$$ PDB for NP0085299 (AVQSKPPSKRDPPKMQTD)HEADER PROTEIN 29-APR-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 29-APR-22 0 HETATM 1 O UNK 0 -16.841 33.000 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 -17.053 34.525 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -18.480 35.105 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -18.691 36.630 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -17.476 37.576 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -17.688 39.102 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -16.472 40.048 0.000 0.00 0.00 C+0 HETATM 8 N UNK 0 -16.684 41.573 0.000 0.00 0.00 N+0 HETATM 9 N UNK 0 -19.695 34.159 0.000 0.00 0.00 N+0 HETATM 10 C UNK 0 -21.122 34.738 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -22.337 33.792 0.000 0.00 0.00 C+0 HETATM 12 N UNK 0 -23.764 34.372 0.000 0.00 0.00 N+0 HETATM 13 C UNK 0 -24.979 33.426 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -26.406 34.005 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 -26.618 35.531 0.000 0.00 0.00 N+0 HETATM 16 C UNK 0 -28.044 36.110 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -29.260 35.164 0.000 0.00 0.00 C+0 HETATM 18 N UNK 0 -30.686 35.744 0.000 0.00 0.00 N+0 HETATM 19 C UNK 0 -31.902 34.798 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -33.328 35.377 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -34.544 34.431 0.000 0.00 0.00 C+0 HETATM 22 N UNK 0 -33.540 36.903 0.000 0.00 0.00 N+0 HETATM 23 O UNK 0 -31.690 33.272 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 -29.048 33.639 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -30.263 32.693 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -28.234 32.331 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 -28.256 37.636 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 -27.621 33.059 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -27.410 31.534 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -28.625 30.588 0.000 0.00 0.00 C+0 HETATM 31 N UNK 0 -30.052 31.167 0.000 0.00 0.00 N+0 HETATM 32 O UNK 0 -28.413 29.063 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 -24.767 31.901 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 -22.125 32.267 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 -20.699 31.688 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 -21.333 36.264 0.000 0.00 0.00 O+0 HETATM 37 N UNK 0 -15.838 35.471 0.000 0.00 0.00 N+0 HETATM 38 C UNK 0 -14.358 35.044 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -13.834 33.596 0.000 0.00 0.00 C+0 HETATM 40 N UNK 0 -12.318 33.326 0.000 0.00 0.00 N+0 HETATM 41 C UNK 0 -11.208 34.394 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -9.850 33.668 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -10.120 32.152 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -11.645 31.941 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -12.371 30.582 0.000 0.00 0.00 C+0 HETATM 46 N UNK 0 -11.557 29.275 0.000 0.00 0.00 N+0 HETATM 47 C UNK 0 -12.282 27.916 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -13.821 27.865 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 -14.547 26.507 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 -11.469 26.609 0.000 0.00 0.00 C+0 HETATM 51 N UNK 0 -12.194 25.251 0.000 0.00 0.00 N+0 HETATM 52 C UNK 0 -11.380 23.943 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 -9.841 23.994 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 -9.116 25.353 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -7.576 25.404 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 -6.851 26.762 0.000 0.00 0.00 C+0 HETATM 57 N UNK 0 -5.312 26.813 0.000 0.00 0.00 N+0 HETATM 58 C UNK 0 -12.106 22.585 0.000 0.00 0.00 C+0 HETATM 59 N UNK 0 -11.292 21.277 0.000 0.00 0.00 N+0 HETATM 60 C UNK 0 -12.017 19.919 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -13.556 19.868 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 -14.370 21.175 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 -15.909 21.124 0.000 0.00 0.00 C+0 HETATM 64 N UNK 0 -16.723 22.432 0.000 0.00 0.00 N+0 HETATM 65 C UNK 0 -18.262 22.381 0.000 0.00 0.00 C+0 HETATM 66 N UNK 0 -18.988 21.022 0.000 0.00 0.00 N+0 HETATM 67 N UNK 0 -19.076 23.688 0.000 0.00 0.00 N+0 HETATM 68 C UNK 0 -11.204 18.611 0.000 0.00 0.00 C+0 HETATM 69 N UNK 0 -11.929 17.253 0.000 0.00 0.00 N+0 HETATM 70 C UNK 0 -11.115 15.945 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 -11.841 14.587 0.000 0.00 0.00 C+0 HETATM 72 N UNK 0 -11.027 13.280 0.000 0.00 0.00 N+0 HETATM 73 C UNK 0 -9.491 13.169 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 -9.121 11.674 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 -10.428 10.861 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 -10.538 9.325 0.000 0.00 0.00 C+0 HETATM 77 N UNK 0 -11.924 8.652 0.000 0.00 0.00 N+0 HETATM 78 C UNK 0 -12.194 7.136 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 -11.126 6.026 0.000 0.00 0.00 C+0 HETATM 80 N UNK 0 -11.553 4.547 0.000 0.00 0.00 N+0 HETATM 81 C UNK 0 -10.485 3.437 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 -10.913 1.957 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 -9.845 0.848 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 -10.272 -0.632 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 -9.204 -1.742 0.000 0.00 0.00 C+0 HETATM 86 N UNK 0 -9.631 -3.221 0.000 0.00 0.00 N+0 HETATM 87 C UNK 0 -8.991 3.807 0.000 0.00 0.00 C+0 HETATM 88 N UNK 0 -7.923 2.697 0.000 0.00 0.00 N+0 HETATM 89 C UNK 0 -6.428 3.067 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 -6.001 4.547 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 -4.506 4.916 0.000 0.00 0.00 C+0 HETATM 92 S UNK 0 -4.079 6.396 0.000 0.00 0.00 S+0 HETATM 93 C UNK 0 -2.584 6.766 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 -5.360 1.957 0.000 0.00 0.00 C+0 HETATM 95 N UNK 0 -3.865 2.327 0.000 0.00 0.00 N+0 HETATM 96 C UNK 0 -2.797 1.218 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 -3.224 -0.262 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 -2.157 -1.372 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 -2.584 -2.851 0.000 0.00 0.00 C+0 HETATM 100 N UNK 0 -4.079 -3.221 0.000 0.00 0.00 N+0 HETATM 101 O UNK 0 -1.516 -3.961 0.000 0.00 0.00 O+0 HETATM 102 C UNK 0 -1.302 1.587 0.000 0.00 0.00 C+0 HETATM 103 N UNK 0 -0.235 0.478 0.000 0.00 0.00 N+0 HETATM 104 C UNK 0 1.260 0.848 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 1.687 2.327 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 3.182 2.697 0.000 0.00 0.00 C+0 HETATM 107 O UNK 0 0.620 3.437 0.000 0.00 0.00 O+0 HETATM 108 C UNK 0 2.328 -0.262 0.000 0.00 0.00 C+0 HETATM 109 N UNK 0 3.823 0.108 0.000 0.00 0.00 N+0 HETATM 110 C UNK 0 4.891 -1.002 0.000 0.00 0.00 C+0 HETATM 111 C UNK 0 6.386 -0.632 0.000 0.00 0.00 C+0 HETATM 112 C UNK 0 7.454 -1.742 0.000 0.00 0.00 C+0 HETATM 113 O UNK 0 8.948 -1.372 0.000 0.00 0.00 O+0 HETATM 114 O UNK 0 7.026 -3.221 0.000 0.00 0.00 O+0 HETATM 115 C UNK 0 4.464 -2.481 0.000 0.00 0.00 C+0 HETATM 116 O UNK 0 5.531 -3.591 0.000 0.00 0.00 O+0 HETATM 117 O UNK 0 2.969 -2.851 0.000 0.00 0.00 O+0 HETATM 118 O UNK 0 1.901 -1.742 0.000 0.00 0.00 O+0 HETATM 119 O UNK 0 -0.875 3.067 0.000 0.00 0.00 O+0 HETATM 120 O UNK 0 -5.787 0.478 0.000 0.00 0.00 O+0 HETATM 121 O UNK 0 -8.563 5.286 0.000 0.00 0.00 O+0 HETATM 122 O UNK 0 -9.631 6.396 0.000 0.00 0.00 O+0 HETATM 123 C UNK 0 -13.719 6.924 0.000 0.00 0.00 C+0 HETATM 124 C UNK 0 -14.392 8.310 0.000 0.00 0.00 C+0 HETATM 125 C UNK 0 -13.282 9.377 0.000 0.00 0.00 C+0 HETATM 126 O UNK 0 -9.263 8.461 0.000 0.00 0.00 O+0 HETATM 127 C UNK 0 -11.606 11.853 0.000 0.00 0.00 C+0 HETATM 128 O UNK 0 -13.380 14.536 0.000 0.00 0.00 O+0 HETATM 129 C UNK 0 -9.576 15.996 0.000 0.00 0.00 C+0 HETATM 130 C UNK 0 -8.851 17.355 0.000 0.00 0.00 C+0 HETATM 131 O UNK 0 -9.664 18.662 0.000 0.00 0.00 O+0 HETATM 132 O UNK 0 -7.311 17.406 0.000 0.00 0.00 O+0 HETATM 133 O UNK 0 -9.988 19.557 0.000 0.00 0.00 O+0 HETATM 134 O UNK 0 -13.645 22.534 0.000 0.00 0.00 O+0 HETATM 135 O UNK 0 -9.929 26.660 0.000 0.00 0.00 O+0 HETATM 136 O UNK 0 -13.910 30.531 0.000 0.00 0.00 O+0 HETATM 137 O UNK 0 -14.826 32.418 0.000 0.00 0.00 O+0 HETATM 138 C UNK 0 -13.495 36.319 0.000 0.00 0.00 C+0 HETATM 139 C UNK 0 -14.441 37.535 0.000 0.00 0.00 C+0 HETATM 140 C UNK 0 -15.889 37.011 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 37 CONECT 3 2 4 9 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 CONECT 9 3 10 CONECT 10 9 11 36 CONECT 11 10 12 34 CONECT 12 11 13 CONECT 13 12 14 33 CONECT 14 13 15 28 CONECT 15 14 16 CONECT 16 15 17 27 CONECT 17 16 18 24 CONECT 18 17 19 CONECT 19 18 20 23 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 CONECT 23 19 CONECT 24 17 25 26 CONECT 25 24 CONECT 26 24 CONECT 27 16 CONECT 28 14 29 CONECT 29 28 30 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 CONECT 33 13 CONECT 34 11 35 CONECT 35 34 CONECT 36 10 CONECT 37 2 38 140 CONECT 38 37 39 138 CONECT 39 38 40 137 CONECT 40 39 41 44 CONECT 41 40 42 CONECT 42 41 43 CONECT 43 42 44 CONECT 44 43 40 45 CONECT 45 44 46 136 CONECT 46 45 47 CONECT 47 46 48 50 CONECT 48 47 49 CONECT 49 48 CONECT 50 47 51 135 CONECT 51 50 52 CONECT 52 51 53 58 CONECT 53 52 54 CONECT 54 53 55 CONECT 55 54 56 CONECT 56 55 57 CONECT 57 56 CONECT 58 52 59 134 CONECT 59 58 60 CONECT 60 59 61 68 CONECT 61 60 62 CONECT 62 61 63 CONECT 63 62 64 CONECT 64 63 65 CONECT 65 64 66 67 CONECT 66 65 CONECT 67 65 CONECT 68 60 69 133 CONECT 69 68 70 CONECT 70 69 71 129 CONECT 71 70 72 128 CONECT 72 71 73 127 CONECT 73 72 74 CONECT 74 73 75 CONECT 75 74 76 127 CONECT 76 75 77 126 CONECT 77 76 78 125 CONECT 78 77 79 123 CONECT 79 78 80 122 CONECT 80 79 81 CONECT 81 80 82 87 CONECT 82 81 83 CONECT 83 82 84 CONECT 84 83 85 CONECT 85 84 86 CONECT 86 85 CONECT 87 81 88 121 CONECT 88 87 89 CONECT 89 88 90 94 CONECT 90 89 91 CONECT 91 90 92 CONECT 92 91 93 CONECT 93 92 CONECT 94 89 95 120 CONECT 95 94 96 CONECT 96 95 97 102 CONECT 97 96 98 CONECT 98 97 99 CONECT 99 98 100 101 CONECT 100 99 CONECT 101 99 CONECT 102 96 103 119 CONECT 103 102 104 CONECT 104 103 105 108 CONECT 105 104 106 107 CONECT 106 105 CONECT 107 105 CONECT 108 104 109 118 CONECT 109 108 110 CONECT 110 109 111 115 CONECT 111 110 112 CONECT 112 111 113 114 CONECT 113 112 CONECT 114 112 CONECT 115 110 116 117 CONECT 116 115 CONECT 117 115 CONECT 118 108 CONECT 119 102 CONECT 120 94 CONECT 121 87 CONECT 122 79 CONECT 123 78 124 CONECT 124 123 125 CONECT 125 124 77 CONECT 126 76 CONECT 127 75 72 CONECT 128 71 CONECT 129 70 130 CONECT 130 129 131 132 CONECT 131 130 CONECT 132 130 CONECT 133 68 CONECT 134 58 CONECT 135 50 CONECT 136 45 CONECT 137 39 CONECT 138 38 139 CONECT 139 138 140 CONECT 140 139 37 MASTER 0 0 0 0 0 0 0 0 140 0 286 0 END SMILES for NP0085299 (AVQSKPPSKRDPPKMQTD)CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCN(C1)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O INCHI for NP0085299 (AVQSKPPSKRDPPKMQTD)InChI=1S/C85H144N26O28S/c1-43(2)65(106-67(121)44(3)89)78(132)100-50(23-25-61(90)115)71(125)104-56(41-112)75(129)101-53(18-8-11-31-88)82(136)111-35-15-22-60(111)83(137)110-34-14-21-59(110)77(131)105-57(42-113)74(128)96-47(16-6-9-29-86)68(122)95-49(19-12-32-94-85(92)93)70(124)102-54(38-63(117)118)81(135)108-36-27-46(40-108)80(134)109-33-13-20-58(109)76(130)99-48(17-7-10-30-87)69(123)98-52(28-37-140-5)72(126)97-51(24-26-62(91)116)73(127)107-66(45(4)114)79(133)103-55(84(138)139)39-64(119)120/h43-60,65-66,112-114H,6-42,86-89H2,1-5H3,(H2,90,115)(H2,91,116)(H,95,122)(H,96,128)(H,97,126)(H,98,123)(H,99,130)(H,100,132)(H,101,129)(H,102,124)(H,103,133)(H,104,125)(H,105,131)(H,106,121)(H,107,127)(H,117,118)(H,119,120)(H,138,139)(H4,92,93,94)/t44-,45+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1 3D Structure for NP0085299 (AVQSKPPSKRDPPKMQTD) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C85H144N26O28S | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 2010.3000 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 2009.03641 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(3R)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]hexanamido]-5-carbamimidamidopentanamido]-3-carboxypropanoyl]pyrrolidine-3-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-hydroxybutanamido]butanedioic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(3R)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]hexanamido]-5-carbamimidamidopentanamido]-3-carboxypropanoyl]pyrrolidine-3-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-hydroxybutanamido]butanedioic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCN(C1)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C85H144N26O28S/c1-43(2)65(106-67(121)44(3)89)78(132)100-50(23-25-61(90)115)71(125)104-56(41-112)75(129)101-53(18-8-11-31-88)82(136)111-35-15-22-60(111)83(137)110-34-14-21-59(110)77(131)105-57(42-113)74(128)96-47(16-6-9-29-86)68(122)95-49(19-12-32-94-85(92)93)70(124)102-54(38-63(117)118)81(135)108-36-27-46(40-108)80(134)109-33-13-20-58(109)76(130)99-48(17-7-10-30-87)69(123)98-52(28-37-140-5)72(126)97-51(24-26-62(91)116)73(127)107-66(45(4)114)79(133)103-55(84(138)139)39-64(119)120/h43-60,65-66,112-114H,6-42,86-89H2,1-5H3,(H2,90,115)(H2,91,116)(H,95,122)(H,96,128)(H,97,126)(H,98,123)(H,99,130)(H,100,132)(H,101,129)(H,102,124)(H,103,133)(H,104,125)(H,105,131)(H,106,121)(H,107,127)(H,117,118)(H,119,120)(H,138,139)(H4,92,93,94)/t44-,45+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | RAPQZUTWEHDGAT-KEPHFFBJSA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References | Not Available |