Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B8FPC7
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-Acetamido-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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| Synonyms |
CHEMBL1791357; BDBM50370726
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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 |
C44H59N7O10S
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CS)NC(=O)C
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| InChI |
1S/C44H59N7O10S/c1-4-26(2)38(51-42(58)37(25-62)46-27(3)52)43(59)49-35(23-29-13-17-31(53)18-14-29)40(56)47-33(12-8-9-21-45)39(55)48-34(22-28-10-6-5-7-11-28)41(57)50-36(44(60)61)24-30-15-19-32(54)20-16-30/h5-7,10-11,13-20,26,33-38,53-54,62H,4,8-9,12,21-25,45H2,1-3H3,(H,46,52)(H,47,56)(H,48,55)(H,49,59)(H,50,57)(H,51,58)(H,60,61)/t26-,33-,34-,35-,36-,37-,38-/m0/s1
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| InChIKey |
QSINBKZEKHTVRM-URWZXWPZSA-N
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| PubChem Compound ID | ||||
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