化学式

CAS号

IUPAC Name

3-[[(12S,15S,18S)-4-氯-7-(3-羟基-4-哌啶基)-13-甲基-15-[4-[(2-甲基-2-基)oxycarbonylamino]丁基]-18-[3-[(2-甲基-2-基)oxycarbonylamino]丙基]-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-1-羧酸 3-[[(12S,15S,18S)-4-chloro-7-(3-hydroxy-4-methoxycarbonylphenyl)-13-methyl-15-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-18-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-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-carboxylic acid

InChI

InChI=1S/C55H69ClN8O12S/c1-54(2,3)75-51(70)57-25-14-13-18-41-48(68)62(7)43(28-35-32-63(53(72)73)42-20-11-10-17-37(35)42)47(67)60-31-39-36(33-22-23-38(44(65)29-33)50(69)74-8)24-27-64(56)49(39)77-45-21-12-9-16-34(45)30-59-40(46(66)61-41)19-15-26-58-52(71)76-55(4,5)6/h9-12,16-17,20-24,29,32,40-41,43,59,65H,13-15,18-19,25-28,30-31H2,1-8H3,(H,57,70)(H,58,71)(H,60,67)(H,61,66)(H,72,73)/t40-,41-,43-/m0/s1

InChI Key

XKHFOSNGAWAOOC-HMWSTLFVSA-N

Canonical SMILES

CC(C)(C)OC(=O)NCCCCC1C(=O)N(C(C(=O)NCC2=C(N(CC=C2C3=CC(=C(C=C3)C(=O)OC)O)Cl)SC4=CC=CC=C4CNC(C(=O)N1)CCCNC(=O)OC(C)(C)C)CC5=CN(C6=CC=CC=C65)C(=O)O)C

别名

• SCHEMBL21488713