化学式

CAS号

IUPAC Name

叔-丁基3-[[(12S,15S,18S)-4-氯-7-(4-氰基苯基)-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-(4-cyanophenyl)-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/C58H74ClN9O9S/c1-56(2,3)75-53(72)61-29-16-15-20-45-51(71)66(10)47(32-40-36-67(55(74)77-58(7,8)9)46-22-13-12-19-42(40)46)50(70)64-35-43-41(38-26-24-37(33-60)25-27-38)28-31-68(59)52(43)78-48-23-14-11-18-39(48)34-63-44(49(69)65-45)21-17-30-62-54(73)76-57(4,5)6/h11-14,18-19,22-28,36,44-45,47,63H,15-17,20-21,29-32,34-35H2,1-10H3,(H,61,72)(H,62,73)(H,64,70)(H,65,69)/t44-,45-,47-/m0/s1

InChI Key

BUHUUQHQQDAOOG-ZNSIVILSSA-N

Canonical SMILES

CC(C)(C)OC(=O)NCCCCC1C(=O)N(C(C(=O)NCC2=C(N(CC=C2C3=CC=C(C=C3)C#N)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

• SCHEMBL21404763