化学式

CAS号

IUPAC Name

(2S,4S)-4-[4-[3-[1-[(3S,5S)-1-[(2S)-2-[[(2S)-2-[氯(甲基)氨基]丙酰基]氨基]-3,3-dimethylbutanoyl]-5-[[(1R)-1-苯基乙基]氨基甲酰]吡咯烷-3-基]三唑-4-基]丙基]三唑-1-基]-1-[(2S)-3,3-二甲基-2-[[(2S)-2-(甲基氨基)丙酰基]氨基]butanoyl]-N-[(1R)-1-苯基乙基]吡咯烷-2-羧酰胺 (2S,4S)-4-[4-[3-[1-[(3S,5S)-1-[(2S)-2-[[(2S)-2-[chloro(methyl)amino]propanoyl]amino]-3,3-dimethylbutanoyl]-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidin-3-yl]triazol-4-yl]propyl]triazol-1-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide

InChI

InChI=1S/C53H77ClN14O6/c1-32(36-20-15-13-16-21-36)56-48(71)42-26-40(30-65(42)50(73)44(52(5,6)7)58-46(69)34(3)55-11)67-28-38(60-62-67)24-19-25-39-29-68(63-61-39)41-27-43(49(72)57-33(2)37-22-17-14-18-23-37)66(31-41)51(74)45(53(8,9)10)59-47(70)35(4)64(12)54/h13-18,20-23,28-29,32-35,40-45,55H,19,24-27,30-31H2,1-12H3,(H,56,71)(H,57,72)(H,58,69)(H,59,70)/t32-,33-,34+,35+,40+,41+,42+,43+,44-,45-/m1/s1

InChI Key

CPJYXSDHRQHCCI-BMLBOVKQSA-N

Canonical SMILES

CC(C1=CC=CC=C1)NC(=O)C2CC(CN2C(=O)C(C(C)(C)C)NC(=O)C(C)NC)N3C=C(N=N3)CCCC4=CN(N=N4)C5CC(N(C5)C(=O)C(C(C)(C)C)NC(=O)C(C)N(C)Cl)C(=O)NC(C)C6=CC=CC=C6

别名

• SCHEMBL16138370