Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B1SPU6
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| Binder Name |
(4R)-4-[[(2S)-2-Acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[[pentyl-[[(1S)-1-phenylethyl]carbamoyl]amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms |
Azapeptide-based compound 45; BDBM3904; CHEMBL3301635; DTXSID50349310
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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 |
C48H70N8O12
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| Canonical SMILES |
CCCCCN(C(=O)N[C@@H](C)C1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)OCC3=CC=CC=C3
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| InChI |
1S/C48H70N8O12/c1-8-10-17-24-56(48(67)49-31(6)34-20-15-12-16-21-34)54-45(64)38-25-35(68-28-33-18-13-11-14-19-33)27-55(38)47(66)41(29(3)4)52-46(65)42(30(5)9-2)53-43(62)36(22-23-39(58)59)51-44(63)37(26-40(60)61)50-32(7)57/h11-16,18-21,29-31,35-38,41-42H,8-10,17,22-28H2,1-7H3,(H,49,67)(H,50,57)(H,51,63)(H,52,65)(H,53,62)(H,54,64)(H,58,59)(H,60,61)/t30-,31-,35+,36+,37-,38-,41-,42-/m0/s1
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| InChIKey |
OFYCIMYEZGXNRV-UOCYIBCNSA-N
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| PubChem Compound ID | ||||
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