化学式

CAS号

IUPAC Name

5-氨基-1-N-[(3S)-3-[[(2S)-2-[[(2S)-2-[氯(甲基)氨基]丙酰基]氨基]-3-甲基丁酰基]氨基]-4-氧代-4-[[(1R)-1,2,3,4-四氢萘-1-基]氨基]丁基]-3-N-[(3S,5S)-1-[(2S)-3,3-二甲基-2-[[(2S)-2-(甲基氨基)丙酰基]氨基]butanoyl]-5-[[(1R)-1,2,3,4-四氢萘-1-基]氨基甲酰]吡咯烷-3-基]苯-1,3-二甲酰胺 5-amino-1-N-[(3S)-3-[[(2S)-2-[[(2S)-2-[chloro(methyl)amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-oxo-4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butyl]-3-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]benzene-1,3-dicarboxamide

InChI

InChI=1S/C56H78ClN11O8/c1-31(2)46(65-49(70)33(4)67(9)57)54(75)64-44(52(73)62-42-22-14-18-34-16-10-12-20-40(34)42)24-25-60-50(71)36-26-37(28-38(58)27-36)51(72)61-39-29-45(53(74)63-43-23-15-19-35-17-11-13-21-41(35)43)68(30-39)55(76)47(56(5,6)7)66-48(69)32(3)59-8/h10-13,16-17,20-21,26-28,31-33,39,42-47,59H,14-15,18-19,22-25,29-30,58H2,1-9H3,(H,60,71)(H,61,72)(H,62,73)(H,63,74)(H,64,75)(H,65,70)(H,66,69)/t32-,33-,39-,42+,43+,44-,45-,46-,47+/m0/s1

InChI Key

NIEPXNSRVJJLTN-OKDXYSSWSA-N

Canonical SMILES

CC(C)C(C(=O)NC(CCNC(=O)C1=CC(=CC(=C1)N)C(=O)NC2CC(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(C)NC)C(=O)NC3CCCC4=CC=CC=C34)C(=O)NC5CCCC6=CC=CC=C56)NC(=O)C(C)N(C)Cl

别名

• SCHEMBL16138401