化学式

CAS号

IUPAC Name

3-[3-[(12S,15S,18S)-7-[4-(acetylsulfamoyl)苯基]-4-氯-13-甲基-15-[4-[(2-甲基-2-基)oxycarbonylamino]丁基]-12-[[1-[(2-甲基-2-基)oxycarbonyl]吲哚-3-基]甲基]-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-18-基]丙基-[(2-甲基-2-基)oxyc 3-[3-[(12S,15S,18S)-7-[4-(acetylsulfamoyl)phenyl]-4-chloro-13-methyl-15-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-12-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-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-18-yl]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

InChI

InChI=1S/C62H82ClN9O14S2/c1-39(73)68-88(82,83)43-27-25-40(26-28-43)44-29-34-72(63)56-46(44)37-66-54(77)50(35-42-38-71(59(81)86-62(8,9)10)49-23-14-13-20-45(42)49)69(11)55(78)48(21-16-17-31-64-57(79)84-60(2,3)4)67-53(76)47(65-36-41-19-12-15-24-51(41)87-56)22-18-32-70(33-30-52(74)75)58(80)85-61(5,6)7/h12-15,19-20,23-29,38,47-48,50,65H,16-18,21-22,30-37H2,1-11H3,(H,64,79)(H,66,77)(H,67,76)(H,68,73)(H,74,75)/t47-,48-,50-/m0/s1

InChI Key

UVLIOQAIHAFDOT-KMJBCNTFSA-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)O)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

• SCHEMBL21404823