化学式

CAS号

IUPAC Name

叔-丁基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-甲酸基酯 tert-butyl 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-carboxylate

InChI

InChI=1S/C59H77ClN8O12S/c1-57(2,3)78-54(74)61-28-17-16-21-44-51(72)66(10)46(31-38-35-67(56(76)80-59(7,8)9)45-23-14-13-20-40(38)45)50(71)64-34-42-39(36-25-26-41(47(69)32-36)53(73)77-11)27-30-68(60)52(42)81-48-24-15-12-19-37(48)33-63-43(49(70)65-44)22-18-29-62-55(75)79-58(4,5)6/h12-15,19-20,23-27,32,35,43-44,46,63,69H,16-18,21-22,28-31,33-34H2,1-11H3,(H,61,74)(H,62,75)(H,64,71)(H,65,70)/t43-,44-,46-/m0/s1

InChI Key

PBGRUCWNKUSMJK-UDVBZZPGSA-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)OC(C)(C)C)C

别名

• SCHEMBL21488806