Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B9X8DZ
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| Binder Name |
(2S)-2-[[(2S)-2-[[2-[2-[[2-[2-[[(2S)-1-[[(1S)-1-Carboxy-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethoxy]phenyl]diazenyl]phenoxy]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
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| Synonyms |
CHEMBL1170298; BDBM50378793
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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 |
C52H50N6O10
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| Canonical SMILES |
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)COC3=CC=CC=C3N=NC4=CC=CC=C4OCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)O
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| InChI |
1S/C52H50N6O10/c59-47(53-41(29-35-17-5-1-6-18-35)49(61)55-43(51(63)64)31-37-21-9-3-10-22-37)33-67-45-27-15-13-25-39(45)57-58-40-26-14-16-28-46(40)68-34-48(60)54-42(30-36-19-7-2-8-20-36)50(62)56-44(52(65)66)32-38-23-11-4-12-24-38/h1-28,41-44H,29-34H2,(H,53,59)(H,54,60)(H,55,61)(H,56,62)(H,63,64)(H,65,66)/t41-,42-,43-,44-/m0/s1
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| InChIKey |
ISUSJDCLEWDXEU-ITMZJIMRSA-N
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| PubChem Compound ID | ||||
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