Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B13SCI
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| Binder Name |
(2S,3S)-2-[[(3S,6S,9S,12S,15S)-3-Benzyl-12-[(2S)-butan-2-yl]-6-(1H-indol-3-ylmethyl)-7-methyl-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
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| Synonyms |
CHEMBL409618; BDBM50192335
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C46H66N8O8
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| Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)N[C@@H]([C@@H](C)CC)C(=O)O)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)C)CC(C)C
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| InChI |
1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29-,34-,35-,36-,37-,38-,39-/m0/s1
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| InChIKey |
CLAPAZQQSRVIAI-HWYAFXHLSA-N
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| PubChem Compound ID | ||||
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