Showing NP-Card for Tasiamide B (NP0004684)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 02:06:52 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:49:51 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0004684 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Tasiamide B | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | (2S)-2-[(2S)-2-{[(2S)-1,2-dihydroxypropylidene]amino}-N,3-dimethylbutanamido]-N-[(2S,3S)-3-hydroxy-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-(methoxycarbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl](methyl)carbamoyl}ethyl]-C-hydroxycarbonimidoyl}-3-methylbutyl]-C-hydroxycarbonimidoyl}-1-phenylbutan-2-yl]pentanediimidic acid belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Tasiamide B is found in Symploca, Symploca sp. and Symploca spp.. Tasiamide B was first documented in 2003 (PMID: 12880326). Based on a literature review very few articles have been published on (2S)-2-[(2S)-2-{[(2S)-1,2-dihydroxypropylidene]amino}-N,3-dimethylbutanamido]-N-[(2S,3S)-3-hydroxy-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-(methoxycarbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl](methyl)carbamoyl}ethyl]-C-hydroxycarbonimidoyl}-3-methylbutyl]-C-hydroxycarbonimidoyl}-1-phenylbutan-2-yl]pentanediimidic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0004684 (Tasiamide B)
Mrv1652307012117543D
144146 0 0 0 0 999 V2000
10.0081 1.0239 -3.8097 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6773 1.7293 -2.6168 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6506 3.1161 -2.6694 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9173 3.6681 -3.7554 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3211 3.9645 -1.4817 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6088 4.6433 -1.0826 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7587 4.4068 0.3950 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4236 3.8911 0.8453 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8697 3.2550 -0.3397 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9953 2.1081 -0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5299 1.6966 -1.3385 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6896 1.4975 1.0059 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7308 0.5012 1.5276 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9923 -0.6733 0.7493 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3325 -1.8578 1.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5662 -3.0176 0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4591 -3.0277 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1336 -1.8582 -1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8786 -0.7286 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3788 0.8834 1.1140 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5669 1.3007 2.2817 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8000 -0.0579 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3761 -0.4227 -0.8469 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5259 -0.7033 0.4968 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7864 -2.1408 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7194 -0.9289 -0.7283 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3624 -1.2195 -0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9509 -1.2663 0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2887 -1.4716 -1.5690 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4808 -1.5033 -2.9910 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2856 -2.5712 -3.5967 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6989 -2.7755 -3.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2110 -2.4067 -5.1354 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0536 -0.7631 -1.0919 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8451 -1.3509 -0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5457 -2.5900 0.1048 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0836 -0.7971 0.3760 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6261 -1.8322 1.3633 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0204 -3.0129 0.8495 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2686 -1.2801 2.5871 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8392 -2.1024 3.7943 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.2314 -3.5179 3.7330 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4354 -3.8792 4.3146 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8670 -5.1740 4.2533 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1303 -6.1492 3.6213 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9415 -5.7643 3.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4796 -4.4679 3.1019 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6543 -1.1166 2.4805 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4523 -0.0803 1.9313 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8681 0.8911 1.3952 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9088 -0.1117 1.9914 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.5450 -1.1032 1.0898 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1661 -2.5471 1.3036 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.9333 -3.4507 0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7519 -4.8395 0.5261 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.7121 -2.9689 -0.4267 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5771 1.1758 1.7454 N 0 0 0 0 0 0 0 0 0 0 0 0
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-7.5775 1.8229 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9410 1.1709 -0.4258 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1344 3.0748 0.0288 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8666 2.8734 -1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.5375 3.3113 -2.4999 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5149 3.9753 -2.7724 O 0 0 0 0 0 0 0 0 0 0 0 0
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-10.4758 2.1020 -3.2370 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7052 4.0912 0.9083 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.6951 4.6348 1.8684 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1648 5.2850 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3751 0.1076 -3.8261 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7866 1.6197 -4.7191 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0934 0.7843 -3.8373 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5996 4.7492 -1.7989 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4956 4.2056 -1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5292 5.7270 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5740 3.6823 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9581 5.3395 0.9358 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7388 4.7528 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5206 3.2489 1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7335 2.2884 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3095 0.2000 2.5543 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6669 1.0219 1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6220 -1.9226 1.8342 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0324 -3.9297 0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6884 -3.9035 -1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8433 -1.8666 -1.8519 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4261 0.1552 -0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7537 1.9232 1.8607 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1590 0.3964 2.7452 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1374 1.9413 2.9733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9185 -0.2646 1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5519 -2.6437 0.4242 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8399 -2.7144 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1063 -2.0656 2.0659 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2530 -0.8024 -1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9997 -2.6106 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4324 -1.6180 -3.4742 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7653 -0.4807 -3.4259 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7027 -3.5460 -3.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2559 -1.8407 -3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9498 -3.1823 -2.2832 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1095 -3.5571 -4.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9236 -3.3707 -5.5850 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5296 -1.5765 -5.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2430 -2.1429 -5.4581 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0541 0.1937 -1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7887 0.0775 1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7935 -0.5247 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5363 -2.1574 1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8414 -2.9493 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8154 -0.2491 2.7219 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0791 -1.6112 4.7594 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7102 -2.1040 3.7421 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0761 -3.1683 4.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8214 -5.4414 4.7188 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4791 -7.1853 3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3069 -6.4947 2.5307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4954 -4.2650 2.6482 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2357 -1.9004 2.9392 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1899 -0.3530 3.0887 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6737 -1.0335 1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4198 -0.9239 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0710 -2.7123 1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2959 -2.8382 2.3449 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6891 -5.2533 1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6838 -5.4153 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4374 0.8406 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7207 2.4229 3.5002 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3071 2.0211 2.7095 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1620 3.6198 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7697 2.3203 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8984 2.5018 -4.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4325 5.1220 -4.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0225 4.4357 -3.5865 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3671 4.0813 -5.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3919 2.4426 -3.3798 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6342 3.8058 1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8020 3.9842 1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1317 4.7031 2.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3322 5.6417 1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4418 5.5183 -0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1925 5.1143 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2192 6.1444 0.7524 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 2 0 0 0 0
3 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
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
12 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
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24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
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38 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
40 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
49 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
54 56 2 0 0 0 0
51 57 1 0 0 0 0
57 58 1 0 0 0 0
57 59 1 0 0 0 0
59 60 2 0 0 0 0
59 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
63 65 1 0 0 0 0
65 66 1 0 0 0 0
65 67 1 0 0 0 0
61 68 1 0 0 0 0
68 69 1 0 0 0 0
68 70 1 0 0 0 0
9 5 1 0 0 0 0
19 14 1 0 0 0 0
47 42 1 0 0 0 0
1 71 1 0 0 0 0
1 72 1 0 0 0 0
1 73 1 0 0 0 0
5 74 1 6 0 0 0
6 75 1 0 0 0 0
6 76 1 0 0 0 0
7 77 1 0 0 0 0
7 78 1 0 0 0 0
8 79 1 0 0 0 0
8 80 1 0 0 0 0
12 81 1 1 0 0 0
13 82 1 0 0 0 0
13 83 1 0 0 0 0
15 84 1 0 0 0 0
16 85 1 0 0 0 0
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21 90 1 0 0 0 0
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24 92 1 1 0 0 0
25 93 1 0 0 0 0
25 94 1 0 0 0 0
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26 96 1 0 0 0 0
29 97 1 1 0 0 0
30 98 1 0 0 0 0
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31100 1 6 0 0 0
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37109 1 0 0 0 0
38110 1 1 0 0 0
39111 1 0 0 0 0
40112 1 1 0 0 0
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53124 1 0 0 0 0
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70144 1 0 0 0 0
M END
3D MOL for NP0004684 (Tasiamide B)
RDKit 3D
144146 0 0 0 0 0 0 0 0999 V2000
10.0081 1.0239 -3.8097 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6773 1.7293 -2.6168 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6506 3.1161 -2.6694 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9173 3.6681 -3.7554 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3211 3.9645 -1.4817 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6088 4.6433 -1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7587 4.4068 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4236 3.8911 0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8697 3.2550 -0.3397 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9953 2.1081 -0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5299 1.6966 -1.3385 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6896 1.4975 1.0059 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7308 0.5012 1.5276 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9923 -0.6733 0.7493 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3325 -1.8578 1.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5662 -3.0176 0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4591 -3.0277 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1336 -1.8582 -1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8786 -0.7286 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3788 0.8834 1.1140 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5669 1.3007 2.2817 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8000 -0.0579 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3761 -0.4227 -0.8469 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5259 -0.7033 0.4968 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7864 -2.1408 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7194 -0.9289 -0.7283 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3624 -1.2195 -0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9509 -1.2663 0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2887 -1.4716 -1.5690 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4808 -1.5033 -2.9910 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2856 -2.5712 -3.5967 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6989 -2.7755 -3.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2110 -2.4067 -5.1354 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0536 -0.7631 -1.0919 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8451 -1.3509 -0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.0836 -0.7971 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6261 -1.8322 1.3633 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0204 -3.0129 0.8495 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2686 -1.2801 2.5871 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8392 -2.1024 3.7943 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2314 -3.5179 3.7330 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4354 -3.8792 4.3146 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8670 -5.1740 4.2533 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1303 -6.1492 3.6213 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9415 -5.7643 3.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4796 -4.4679 3.1019 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6543 -1.1166 2.4805 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4523 -0.0803 1.9313 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8681 0.8911 1.3952 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9088 -0.1117 1.9914 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.5450 -1.1032 1.0898 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1661 -2.5471 1.3036 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9333 -3.4507 0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7519 -4.8395 0.5261 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.7121 -2.9689 -0.4267 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5771 1.1758 1.7454 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2858 1.7000 2.9094 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5775 1.8229 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9410 1.1709 -0.4258 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1344 3.0748 0.0288 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8666 2.8734 -1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0
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M END
3D SDF for NP0004684 (Tasiamide B)
Mrv1652307012117543D
144146 0 0 0 0 999 V2000
10.0081 1.0239 -3.8097 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6773 1.7293 -2.6168 O 0 0 0 0 0 0 0 0 0 0 0 0
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7.6896 1.4975 1.0059 C 0 0 2 0 0 0 0 0 0 0 0 0
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9.3751 0.1076 -3.8261 H 0 0 0 0 0 0 0 0 0 0 0 0
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25 93 1 0 0 0 0
25 94 1 0 0 0 0
25 95 1 0 0 0 0
26 96 1 0 0 0 0
29 97 1 1 0 0 0
30 98 1 0 0 0 0
30 99 1 0 0 0 0
31100 1 6 0 0 0
32101 1 0 0 0 0
32102 1 0 0 0 0
32103 1 0 0 0 0
33104 1 0 0 0 0
33105 1 0 0 0 0
33106 1 0 0 0 0
34107 1 0 0 0 0
37108 1 0 0 0 0
37109 1 0 0 0 0
38110 1 1 0 0 0
39111 1 0 0 0 0
40112 1 1 0 0 0
41113 1 0 0 0 0
41114 1 0 0 0 0
43115 1 0 0 0 0
44116 1 0 0 0 0
45117 1 0 0 0 0
46118 1 0 0 0 0
47119 1 0 0 0 0
48120 1 0 0 0 0
51121 1 1 0 0 0
52122 1 0 0 0 0
52123 1 0 0 0 0
53124 1 0 0 0 0
53125 1 0 0 0 0
55126 1 0 0 0 0
55127 1 0 0 0 0
58128 1 0 0 0 0
58129 1 0 0 0 0
58130 1 0 0 0 0
61131 1 6 0 0 0
62132 1 0 0 0 0
65133 1 6 0 0 0
66134 1 0 0 0 0
66135 1 0 0 0 0
66136 1 0 0 0 0
67137 1 0 0 0 0
68138 1 1 0 0 0
69139 1 0 0 0 0
69140 1 0 0 0 0
69141 1 0 0 0 0
70142 1 0 0 0 0
70143 1 0 0 0 0
70144 1 0 0 0 0
M END
> <DATABASE_ID>
NP0004684
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N([H])[C@@]([H])(C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(O[H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)OC([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,35-,36-,37-,38-,39-,40-,43-/m0/s1
> <INCHI_KEY>
WFMVRFNXMBGKEW-BGGOGDBVSA-N
> <FORMULA>
C50H74N8O12
> <MOLECULAR_WEIGHT>
979.186
> <EXACT_MASS>
978.542619855
> <JCHEM_ACCEPTOR_COUNT>
11
> <JCHEM_ATOM_COUNT>
144
> <JCHEM_AVERAGE_POLARIZABILITY>
105.76436364000035
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
7
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
methyl (2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(4S)-4-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-2-hydroxypropanamido]-N,3-dimethylbutanamido]butanamido]-3-hydroxy-5-phenylpentanamido]-4-methylpentanamido]-N-methylpropanamido]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
> <ALOGPS_LOGP>
2.53
> <JCHEM_LOGP>
0.3871026366666676
> <ALOGPS_LOGS>
-4.83
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
3
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
12.44610765985125
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.88510565654827
> <JCHEM_PKA_STRONGEST_BASIC>
-1.5874659809418614
> <JCHEM_POLAR_SURFACE_AREA>
287.18
> <JCHEM_REFRACTIVITY>
257.2798000000001
> <JCHEM_ROTATABLE_BOND_COUNT>
27
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.43e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
methyl (2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(4S)-4-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-2-hydroxypropanamido]-N,3-dimethylbutanamido]butanamido]-3-hydroxy-5-phenylpentanamido]-4-methylpentanamido]-N-methylpropanamido]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0004684 (Tasiamide B)
RDKit 3D
144146 0 0 0 0 0 0 0 0999 V2000
10.0081 1.0239 -3.8097 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6773 1.7293 -2.6168 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6506 3.1161 -2.6694 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9173 3.6681 -3.7554 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3211 3.9645 -1.4817 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6088 4.6433 -1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7587 4.4068 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4236 3.8911 0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8697 3.2550 -0.3397 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9953 2.1081 -0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5299 1.6966 -1.3385 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6896 1.4975 1.0059 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7308 0.5012 1.5276 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9923 -0.6733 0.7493 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3325 -1.8578 1.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5662 -3.0176 0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4591 -3.0277 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1336 -1.8582 -1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8786 -0.7286 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3788 0.8834 1.1140 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5669 1.3007 2.2817 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8000 -0.0579 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3761 -0.4227 -0.8469 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5259 -0.7033 0.4968 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7864 -2.1408 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7194 -0.9289 -0.7283 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3624 -1.2195 -0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9509 -1.2663 0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2887 -1.4716 -1.5690 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4808 -1.5033 -2.9910 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2856 -2.5712 -3.5967 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6989 -2.7755 -3.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2110 -2.4067 -5.1354 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0536 -0.7631 -1.0919 N 0 0 0 0 0 0 0 0 0 0 0 0
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-5.4523 -0.0803 1.9313 C 0 0 0 0 0 0 0 0 0 0 0 0
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-7.5775 1.8229 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9410 1.1709 -0.4258 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1344 3.0748 0.0288 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8666 2.8734 -1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.5375 3.3113 -2.4999 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5149 3.9753 -2.7724 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.4702 2.9665 -3.6346 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.0824 4.2542 -4.1848 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4758 2.1020 -3.2370 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7052 4.0912 0.9083 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.6951 4.6348 1.8684 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1648 5.2850 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3751 0.1076 -3.8261 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7866 1.6197 -4.7191 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0934 0.7843 -3.8373 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5996 4.7492 -1.7989 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4956 4.2056 -1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5292 5.7270 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5740 3.6823 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9581 5.3395 0.9358 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7388 4.7528 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5206 3.2489 1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7335 2.2884 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3095 0.2000 2.5543 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6669 1.0219 1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6220 -1.9226 1.8342 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0324 -3.9297 0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6884 -3.9035 -1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8433 -1.8666 -1.8519 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4261 0.1552 -0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7537 1.9232 1.8607 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1590 0.3964 2.7452 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1374 1.9413 2.9733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9185 -0.2646 1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5519 -2.6437 0.4242 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8399 -2.7144 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1063 -2.0656 2.0659 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2530 -0.8024 -1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9997 -2.6106 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4324 -1.6180 -3.4742 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7653 -0.4807 -3.4259 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7027 -3.5460 -3.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2559 -1.8407 -3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9498 -3.1823 -2.2832 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1095 -3.5571 -4.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9236 -3.3707 -5.5850 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5296 -1.5765 -5.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2430 -2.1429 -5.4581 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0541 0.1937 -1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7887 0.0775 1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7935 -0.5247 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5363 -2.1574 1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8414 -2.9493 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8154 -0.2491 2.7219 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0791 -1.6112 4.7594 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7102 -2.1040 3.7421 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0761 -3.1683 4.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8214 -5.4414 4.7188 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4791 -7.1853 3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.1899 -0.3530 3.0887 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6737 -1.0335 1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.0710 -2.7123 1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2959 -2.8382 2.3449 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6891 -5.2533 1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6838 -5.4153 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4374 0.8406 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7207 2.4229 3.5002 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3071 2.0211 2.7095 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1620 3.6198 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7697 2.3203 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8984 2.5018 -4.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4325 5.1220 -4.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0225 4.4357 -3.5865 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3671 4.0813 -5.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3919 2.4426 -3.3798 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6342 3.8058 1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8020 3.9842 1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1317 4.7031 2.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3322 5.6417 1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4418 5.5183 -0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1925 5.1143 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2192 6.1444 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
12 20 1 0
20 21 1 0
20 22 1 0
22 23 2 0
22 24 1 0
24 25 1 0
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26 27 1 0
27 28 2 0
27 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
31 33 1 0
29 34 1 0
34 35 1 0
35 36 2 0
35 37 1 0
37 38 1 0
38 39 1 0
38 40 1 0
40 41 1 0
41 42 1 0
42 43 2 0
43 44 1 0
44 45 2 0
45 46 1 0
46 47 2 0
40 48 1 0
48 49 1 0
49 50 2 0
49 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
54 56 2 0
51 57 1 0
57 58 1 0
57 59 1 0
59 60 2 0
59 61 1 0
61 62 1 0
62 63 1 0
63 64 2 0
63 65 1 0
65 66 1 0
65 67 1 0
61 68 1 0
68 69 1 0
68 70 1 0
9 5 1 0
19 14 1 0
47 42 1 0
1 71 1 0
1 72 1 0
1 73 1 0
5 74 1 6
6 75 1 0
6 76 1 0
7 77 1 0
7 78 1 0
8 79 1 0
8 80 1 0
12 81 1 1
13 82 1 0
13 83 1 0
15 84 1 0
16 85 1 0
17 86 1 0
18 87 1 0
19 88 1 0
21 89 1 0
21 90 1 0
21 91 1 0
24 92 1 1
25 93 1 0
25 94 1 0
25 95 1 0
26 96 1 0
29 97 1 1
30 98 1 0
30 99 1 0
31100 1 6
32101 1 0
32102 1 0
32103 1 0
33104 1 0
33105 1 0
33106 1 0
34107 1 0
37108 1 0
37109 1 0
38110 1 1
39111 1 0
40112 1 1
41113 1 0
41114 1 0
43115 1 0
44116 1 0
45117 1 0
46118 1 0
47119 1 0
48120 1 0
51121 1 1
52122 1 0
52123 1 0
53124 1 0
53125 1 0
55126 1 0
55127 1 0
58128 1 0
58129 1 0
58130 1 0
61131 1 6
62132 1 0
65133 1 6
66134 1 0
66135 1 0
66136 1 0
67137 1 0
68138 1 1
69139 1 0
69140 1 0
69141 1 0
70142 1 0
70143 1 0
70144 1 0
M END
PDB for NP0004684 (Tasiamide B)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 10.008 1.024 -3.810 0.00 0.00 C+0 HETATM 2 O UNK 0 9.677 1.729 -2.617 0.00 0.00 O+0 HETATM 3 C UNK 0 9.651 3.116 -2.669 0.00 0.00 C+0 HETATM 4 O UNK 0 9.917 3.668 -3.755 0.00 0.00 O+0 HETATM 5 C UNK 0 9.321 3.965 -1.482 0.00 0.00 C+0 HETATM 6 C UNK 0 10.609 4.643 -1.083 0.00 0.00 C+0 HETATM 7 C UNK 0 10.759 4.407 0.395 0.00 0.00 C+0 HETATM 8 C UNK 0 9.424 3.891 0.845 0.00 0.00 C+0 HETATM 9 N UNK 0 8.870 3.255 -0.340 0.00 0.00 N+0 HETATM 10 C UNK 0 7.995 2.108 -0.262 0.00 0.00 C+0 HETATM 11 O UNK 0 7.530 1.697 -1.339 0.00 0.00 O+0 HETATM 12 C UNK 0 7.690 1.498 1.006 0.00 0.00 C+0 HETATM 13 C UNK 0 8.731 0.501 1.528 0.00 0.00 C+0 HETATM 14 C UNK 0 8.992 -0.673 0.749 0.00 0.00 C+0 HETATM 15 C UNK 0 8.332 -1.858 1.039 0.00 0.00 C+0 HETATM 16 C UNK 0 8.566 -3.018 0.307 0.00 0.00 C+0 HETATM 17 C UNK 0 9.459 -3.028 -0.727 0.00 0.00 C+0 HETATM 18 C UNK 0 10.134 -1.858 -1.035 0.00 0.00 C+0 HETATM 19 C UNK 0 9.879 -0.729 -0.292 0.00 0.00 C+0 HETATM 20 N UNK 0 6.379 0.883 1.114 0.00 0.00 N+0 HETATM 21 C UNK 0 5.567 1.301 2.282 0.00 0.00 C+0 HETATM 22 C UNK 0 5.800 -0.058 0.247 0.00 0.00 C+0 HETATM 23 O UNK 0 6.376 -0.423 -0.847 0.00 0.00 O+0 HETATM 24 C UNK 0 4.526 -0.703 0.497 0.00 0.00 C+0 HETATM 25 C UNK 0 4.786 -2.141 1.021 0.00 0.00 C+0 HETATM 26 N UNK 0 3.719 -0.929 -0.728 0.00 0.00 N+0 HETATM 27 C UNK 0 2.362 -1.220 -0.637 0.00 0.00 C+0 HETATM 28 O UNK 0 1.951 -1.266 0.656 0.00 0.00 O+0 HETATM 29 C UNK 0 1.289 -1.472 -1.569 0.00 0.00 C+0 HETATM 30 C UNK 0 1.481 -1.503 -2.991 0.00 0.00 C+0 HETATM 31 C UNK 0 2.286 -2.571 -3.597 0.00 0.00 C+0 HETATM 32 C UNK 0 3.699 -2.776 -3.265 0.00 0.00 C+0 HETATM 33 C UNK 0 2.211 -2.407 -5.135 0.00 0.00 C+0 HETATM 34 N UNK 0 0.054 -0.763 -1.092 0.00 0.00 N+0 HETATM 35 C UNK 0 -0.845 -1.351 -0.230 0.00 0.00 C+0 HETATM 36 O UNK 0 -0.546 -2.590 0.105 0.00 0.00 O+0 HETATM 37 C UNK 0 -2.084 -0.797 0.376 0.00 0.00 C+0 HETATM 38 C UNK 0 -2.626 -1.832 1.363 0.00 0.00 C+0 HETATM 39 O UNK 0 -3.020 -3.013 0.850 0.00 0.00 O+0 HETATM 40 C UNK 0 -3.269 -1.280 2.587 0.00 0.00 C+0 HETATM 41 C UNK 0 -2.839 -2.102 3.794 0.00 0.00 C+0 HETATM 42 C UNK 0 -3.231 -3.518 3.733 0.00 0.00 C+0 HETATM 43 C UNK 0 -4.435 -3.879 4.315 0.00 0.00 C+0 HETATM 44 C UNK 0 -4.867 -5.174 4.253 0.00 0.00 C+0 HETATM 45 C UNK 0 -4.130 -6.149 3.621 0.00 0.00 C+0 HETATM 46 C UNK 0 -2.942 -5.764 3.055 0.00 0.00 C+0 HETATM 47 C UNK 0 -2.480 -4.468 3.102 0.00 0.00 C+0 HETATM 48 N UNK 0 -4.654 -1.117 2.481 0.00 0.00 N+0 HETATM 49 C UNK 0 -5.452 -0.080 1.931 0.00 0.00 C+0 HETATM 50 O UNK 0 -4.868 0.891 1.395 0.00 0.00 O+0 HETATM 51 C UNK 0 -6.909 -0.112 1.991 0.00 0.00 C+0 HETATM 52 C UNK 0 -7.545 -1.103 1.090 0.00 0.00 C+0 HETATM 53 C UNK 0 -7.166 -2.547 1.304 0.00 0.00 C+0 HETATM 54 C UNK 0 -7.933 -3.451 0.405 0.00 0.00 C+0 HETATM 55 N UNK 0 -7.752 -4.840 0.526 0.00 0.00 N+0 HETATM 56 O UNK 0 -8.712 -2.969 -0.427 0.00 0.00 O+0 HETATM 57 N UNK 0 -7.577 1.176 1.745 0.00 0.00 N+0 HETATM 58 C UNK 0 -8.286 1.700 2.909 0.00 0.00 C+0 HETATM 59 C UNK 0 -7.577 1.823 0.522 0.00 0.00 C+0 HETATM 60 O UNK 0 -6.941 1.171 -0.426 0.00 0.00 O+0 HETATM 61 C UNK 0 -8.134 3.075 0.029 0.00 0.00 C+0 HETATM 62 N UNK 0 -8.867 2.873 -1.218 0.00 0.00 N+0 HETATM 63 C UNK 0 -8.537 3.311 -2.500 0.00 0.00 C+0 HETATM 64 O UNK 0 -7.515 3.975 -2.772 0.00 0.00 O+0 HETATM 65 C UNK 0 -9.470 2.966 -3.635 0.00 0.00 C+0 HETATM 66 C UNK 0 -10.082 4.254 -4.185 0.00 0.00 C+0 HETATM 67 O UNK 0 -10.476 2.102 -3.237 0.00 0.00 O+0 HETATM 68 C UNK 0 -8.705 4.091 0.908 0.00 0.00 C+0 HETATM 69 C UNK 0 -7.695 4.635 1.868 0.00 0.00 C+0 HETATM 70 C UNK 0 -9.165 5.285 0.062 0.00 0.00 C+0 HETATM 71 H UNK 0 9.375 0.108 -3.826 0.00 0.00 H+0 HETATM 72 H UNK 0 9.787 1.620 -4.719 0.00 0.00 H+0 HETATM 73 H UNK 0 11.093 0.784 -3.837 0.00 0.00 H+0 HETATM 74 H UNK 0 8.600 4.749 -1.799 0.00 0.00 H+0 HETATM 75 H UNK 0 11.496 4.206 -1.603 0.00 0.00 H+0 HETATM 76 H UNK 0 10.529 5.727 -1.294 0.00 0.00 H+0 HETATM 77 H UNK 0 11.574 3.682 0.614 0.00 0.00 H+0 HETATM 78 H UNK 0 10.958 5.340 0.936 0.00 0.00 H+0 HETATM 79 H UNK 0 8.739 4.753 1.091 0.00 0.00 H+0 HETATM 80 H UNK 0 9.521 3.249 1.714 0.00 0.00 H+0 HETATM 81 H UNK 0 7.734 2.288 1.823 0.00 0.00 H+0 HETATM 82 H UNK 0 8.309 0.200 2.554 0.00 0.00 H+0 HETATM 83 H UNK 0 9.667 1.022 1.755 0.00 0.00 H+0 HETATM 84 H UNK 0 7.622 -1.923 1.834 0.00 0.00 H+0 HETATM 85 H UNK 0 8.032 -3.930 0.558 0.00 0.00 H+0 HETATM 86 H UNK 0 9.688 -3.904 -1.338 0.00 0.00 H+0 HETATM 87 H UNK 0 10.843 -1.867 -1.852 0.00 0.00 H+0 HETATM 88 H UNK 0 10.426 0.155 -0.557 0.00 0.00 H+0 HETATM 89 H UNK 0 4.754 1.923 1.861 0.00 0.00 H+0 HETATM 90 H UNK 0 5.159 0.396 2.745 0.00 0.00 H+0 HETATM 91 H UNK 0 6.137 1.941 2.973 0.00 0.00 H+0 HETATM 92 H UNK 0 3.918 -0.265 1.304 0.00 0.00 H+0 HETATM 93 H UNK 0 5.552 -2.644 0.424 0.00 0.00 H+0 HETATM 94 H UNK 0 3.840 -2.714 0.987 0.00 0.00 H+0 HETATM 95 H UNK 0 5.106 -2.066 2.066 0.00 0.00 H+0 HETATM 96 H UNK 0 4.253 -0.802 -1.589 0.00 0.00 H+0 HETATM 97 H UNK 0 1.000 -2.611 -1.239 0.00 0.00 H+0 HETATM 98 H UNK 0 0.432 -1.618 -3.474 0.00 0.00 H+0 HETATM 99 H UNK 0 1.765 -0.481 -3.426 0.00 0.00 H+0 HETATM 100 H UNK 0 1.703 -3.546 -3.397 0.00 0.00 H+0 HETATM 101 H UNK 0 4.256 -1.841 -3.541 0.00 0.00 H+0 HETATM 102 H UNK 0 3.950 -3.182 -2.283 0.00 0.00 H+0 HETATM 103 H UNK 0 4.109 -3.557 -4.003 0.00 0.00 H+0 HETATM 104 H UNK 0 1.924 -3.371 -5.585 0.00 0.00 H+0 HETATM 105 H UNK 0 1.530 -1.577 -5.408 0.00 0.00 H+0 HETATM 106 H UNK 0 3.243 -2.143 -5.458 0.00 0.00 H+0 HETATM 107 H UNK 0 -0.054 0.194 -1.468 0.00 0.00 H+0 HETATM 108 H UNK 0 -1.789 0.078 1.001 0.00 0.00 H+0 HETATM 109 H UNK 0 -2.793 -0.525 -0.405 0.00 0.00 H+0 HETATM 110 H UNK 0 -1.536 -2.157 1.821 0.00 0.00 H+0 HETATM 111 H UNK 0 -3.841 -2.949 0.263 0.00 0.00 H+0 HETATM 112 H UNK 0 -2.815 -0.249 2.722 0.00 0.00 H+0 HETATM 113 H UNK 0 -3.079 -1.611 4.759 0.00 0.00 H+0 HETATM 114 H UNK 0 -1.710 -2.104 3.742 0.00 0.00 H+0 HETATM 115 H UNK 0 -5.076 -3.168 4.858 0.00 0.00 H+0 HETATM 116 H UNK 0 -5.821 -5.441 4.719 0.00 0.00 H+0 HETATM 117 H UNK 0 -4.479 -7.185 3.562 0.00 0.00 H+0 HETATM 118 H UNK 0 -2.307 -6.495 2.531 0.00 0.00 H+0 HETATM 119 H UNK 0 -1.495 -4.265 2.648 0.00 0.00 H+0 HETATM 120 H UNK 0 -5.236 -1.900 2.939 0.00 0.00 H+0 HETATM 121 H UNK 0 -7.190 -0.353 3.089 0.00 0.00 H+0 HETATM 122 H UNK 0 -8.674 -1.034 1.224 0.00 0.00 H+0 HETATM 123 H UNK 0 -7.420 -0.924 -0.000 0.00 0.00 H+0 HETATM 124 H UNK 0 -6.071 -2.712 1.040 0.00 0.00 H+0 HETATM 125 H UNK 0 -7.296 -2.838 2.345 0.00 0.00 H+0 HETATM 126 H UNK 0 -7.689 -5.253 1.479 0.00 0.00 H+0 HETATM 127 H UNK 0 -7.684 -5.415 -0.337 0.00 0.00 H+0 HETATM 128 H UNK 0 -8.437 0.841 3.661 0.00 0.00 H+0 HETATM 129 H UNK 0 -7.721 2.423 3.500 0.00 0.00 H+0 HETATM 130 H UNK 0 -9.307 2.021 2.709 0.00 0.00 H+0 HETATM 131 H UNK 0 -7.162 3.620 -0.390 0.00 0.00 H+0 HETATM 132 H UNK 0 -9.770 2.320 -1.088 0.00 0.00 H+0 HETATM 133 H UNK 0 -8.898 2.502 -4.444 0.00 0.00 H+0 HETATM 134 H UNK 0 -9.432 5.122 -4.073 0.00 0.00 H+0 HETATM 135 H UNK 0 -11.023 4.436 -3.587 0.00 0.00 H+0 HETATM 136 H UNK 0 -10.367 4.081 -5.225 0.00 0.00 H+0 HETATM 137 H UNK 0 -11.392 2.443 -3.380 0.00 0.00 H+0 HETATM 138 H UNK 0 -9.634 3.806 1.451 0.00 0.00 H+0 HETATM 139 H UNK 0 -6.802 3.984 1.934 0.00 0.00 H+0 HETATM 140 H UNK 0 -8.132 4.703 2.900 0.00 0.00 H+0 HETATM 141 H UNK 0 -7.332 5.642 1.617 0.00 0.00 H+0 HETATM 142 H UNK 0 -8.442 5.518 -0.716 0.00 0.00 H+0 HETATM 143 H UNK 0 -10.193 5.114 -0.319 0.00 0.00 H+0 HETATM 144 H UNK 0 -9.219 6.144 0.752 0.00 0.00 H+0 CONECT 1 2 71 72 73 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 9 74 CONECT 6 5 7 75 76 CONECT 7 6 8 77 78 CONECT 8 7 9 79 80 CONECT 9 8 10 5 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 20 81 CONECT 13 12 14 82 83 CONECT 14 13 15 19 CONECT 15 14 16 84 CONECT 16 15 17 85 CONECT 17 16 18 86 CONECT 18 17 19 87 CONECT 19 18 14 88 CONECT 20 12 21 22 CONECT 21 20 89 90 91 CONECT 22 20 23 24 CONECT 23 22 CONECT 24 22 25 26 92 CONECT 25 24 93 94 95 CONECT 26 24 27 96 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 34 97 CONECT 30 29 31 98 99 CONECT 31 30 32 33 100 CONECT 32 31 101 102 103 CONECT 33 31 104 105 106 CONECT 34 29 35 107 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 38 108 109 CONECT 38 37 39 40 110 CONECT 39 38 111 CONECT 40 38 41 48 112 CONECT 41 40 42 113 114 CONECT 42 41 43 47 CONECT 43 42 44 115 CONECT 44 43 45 116 CONECT 45 44 46 117 CONECT 46 45 47 118 CONECT 47 46 42 119 CONECT 48 40 49 120 CONECT 49 48 50 51 CONECT 50 49 CONECT 51 49 52 57 121 CONECT 52 51 53 122 123 CONECT 53 52 54 124 125 CONECT 54 53 55 56 CONECT 55 54 126 127 CONECT 56 54 CONECT 57 51 58 59 CONECT 58 57 128 129 130 CONECT 59 57 60 61 CONECT 60 59 CONECT 61 59 62 68 131 CONECT 62 61 63 132 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 66 67 133 CONECT 66 65 134 135 136 CONECT 67 65 137 CONECT 68 61 69 70 138 CONECT 69 68 139 140 141 CONECT 70 68 142 143 144 CONECT 71 1 CONECT 72 1 CONECT 73 1 CONECT 74 5 CONECT 75 6 CONECT 76 6 CONECT 77 7 CONECT 78 7 CONECT 79 8 CONECT 80 8 CONECT 81 12 CONECT 82 13 CONECT 83 13 CONECT 84 15 CONECT 85 16 CONECT 86 17 CONECT 87 18 CONECT 88 19 CONECT 89 21 CONECT 90 21 CONECT 91 21 CONECT 92 24 CONECT 93 25 CONECT 94 25 CONECT 95 25 CONECT 96 26 CONECT 97 29 CONECT 98 30 CONECT 99 30 CONECT 100 31 CONECT 101 32 CONECT 102 32 CONECT 103 32 CONECT 104 33 CONECT 105 33 CONECT 106 33 CONECT 107 34 CONECT 108 37 CONECT 109 37 CONECT 110 38 CONECT 111 39 CONECT 112 40 CONECT 113 41 CONECT 114 41 CONECT 115 43 CONECT 116 44 CONECT 117 45 CONECT 118 46 CONECT 119 47 CONECT 120 48 CONECT 121 51 CONECT 122 52 CONECT 123 52 CONECT 124 53 CONECT 125 53 CONECT 126 55 CONECT 127 55 CONECT 128 58 CONECT 129 58 CONECT 130 58 CONECT 131 61 CONECT 132 62 CONECT 133 65 CONECT 134 66 CONECT 135 66 CONECT 136 66 CONECT 137 67 CONECT 138 68 CONECT 139 69 CONECT 140 69 CONECT 141 69 CONECT 142 70 CONECT 143 70 CONECT 144 70 MASTER 0 0 0 0 0 0 0 0 144 0 292 0 END SMILES for NP0004684 (Tasiamide B)[H]O[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N([H])[C@@]([H])(C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(O[H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)OC([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0004684 (Tasiamide B)InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,35-,36-,37-,38-,39-,40-,43-/m0/s1 3D Structure for NP0004684 (Tasiamide B) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C50H74N8O12 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 979.1860 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 978.54262 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | methyl (2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(4S)-4-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-2-hydroxypropanamido]-N,3-dimethylbutanamido]butanamido]-3-hydroxy-5-phenylpentanamido]-4-methylpentanamido]-N-methylpropanamido]-3-phenylpropanoyl]pyrrolidine-2-carboxylate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | methyl (2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(4S)-4-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-2-hydroxypropanamido]-N,3-dimethylbutanamido]butanamido]-3-hydroxy-5-phenylpentanamido]-4-methylpentanamido]-N-methylpropanamido]-3-phenylpropanoyl]pyrrolidine-2-carboxylate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | COC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,35-,36-,37-,38-,39-,40-,43-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | WFMVRFNXMBGKEW-BGGOGDBVSA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic acids and derivatives | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Peptidomimetics | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Hybrid peptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Hybrid peptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic heteromonocyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA004748 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 9106318 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 10931081 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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