Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BZI2E0
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| Binder Name |
(4R)-4-[[(2S)-2-Acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-[(2S,4R)-2-[[methyl-[[(1S)-1-phenylethyl]carbamoyl]amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
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| Synonyms |
Azapeptide-based compound 42; BDBM3901; CHEMBL3301637; DTXSID20349307
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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 |
C44H62N8O12
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(C)C(=O)N[C@@H](C)C2=CC=CC=C2)OCC3=CC=CC=C3)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C
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| InChI |
1S/C44H62N8O12/c1-8-26(4)38(49-39(58)32(19-20-35(54)55)47-40(59)33(22-36(56)57)46-28(6)53)42(61)48-37(25(2)3)43(62)52-23-31(64-24-29-15-11-9-12-16-29)21-34(52)41(60)50-51(7)44(63)45-27(5)30-17-13-10-14-18-30/h9-18,25-27,31-34,37-38H,8,19-24H2,1-7H3,(H,45,63)(H,46,53)(H,47,59)(H,48,61)(H,49,58)(H,50,60)(H,54,55)(H,56,57)/t26-,27-,31+,32+,33-,34-,37-,38-/m0/s1
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| InChIKey |
BJNLEYZJCBQQNV-OKIAJNCWSA-N
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| PubChem Compound ID | ||||
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