Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BV03WD
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| Binder Name |
(3S)-3-Acetamido-4-[[(2R)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(3S)-1-(benzylamino)-1,2-dioxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
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| Synonyms |
CHEMBL2370184; BDBM50071968
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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 |
C39H57N7O12
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| Canonical SMILES |
CCC[C@@H](C(=O)C(=O)NCC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C
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| InChI |
1S/C39H57N7O12/c1-7-13-25(33(52)38(57)40-20-24-14-10-9-11-15-24)42-36(55)28-16-12-17-46(28)39(58)31(21(3)4)44-37(56)32(22(5)8-2)45-35(54)27(19-30(50)51)43-34(53)26(18-29(48)49)41-23(6)47/h9-11,14-15,21-22,25-28,31-32H,7-8,12-13,16-20H2,1-6H3,(H,40,57)(H,41,47)(H,42,55)(H,43,53)(H,44,56)(H,45,54)(H,48,49)(H,50,51)/t22-,25-,26-,27+,28-,31-,32-/m0/s1
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| InChIKey |
QCEJIUAKOBMHJA-NWEZCWROSA-N
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| PubChem Compound ID | ||||
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