化学式

CAS号

IUPAC Name

叔-丁基3-[[(12S,15S,18S)-7-[4-(acetylsulfamoyl)苯基]-4-氯-18-[3-[(3-甲氧基-3-氧代丙基)-[(2-甲基-2-基)oxycarbonyl]氨基]丙基]-13-甲基-15-[4-[(2-甲基-2-基)oxycarbonylamino]丁基]-11,14,17-三氧代-2-硫杂-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),6,21,23-pentaen-12-基]甲基]吲哚 tert-butyl 3-[[(12S,15S,18S)-7-[4-(acetylsulfamoyl)phenyl]-4-chloro-18-[3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-13-methyl-15-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-11,14,17-trioxo-2-thia-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),6,21,23-pentaen-12-yl]methyl]indole-1-carboxylate

InChI

InChI=1S/C63H84ClN9O14S2/c1-40(74)69-89(82,83)44-28-26-41(27-29-44)45-30-35-73(64)57-47(45)38-67-55(77)51(36-43-39-72(60(81)87-63(8,9)10)50-24-15-14-21-46(43)50)70(11)56(78)49(22-17-18-32-65-58(79)85-61(2,3)4)68-54(76)48(66-37-42-20-13-16-25-52(42)88-57)23-19-33-71(34-31-53(75)84-12)59(80)86-62(5,6)7/h13-16,20-21,24-30,39,48-49,51,66H,17-19,22-23,31-38H2,1-12H3,(H,65,79)(H,67,77)(H,68,76)(H,69,74)/t48-,49-,51-/m0/s1

InChI Key

QOMXCNVETBTNTO-XUPPVJDGSA-N

Canonical SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=CCN(C3=C2CNC(=O)C(N(C(=O)C(NC(=O)C(NCC4=CC=CC=C4S3)CCCN(CCC(=O)OC)C(=O)OC(C)(C)C)CCCCNC(=O)OC(C)(C)C)C)CC5=CN(C6=CC=CC=C65)C(=O)OC(C)(C)C)Cl

别名

• SCHEMBL21404847