化学式

CAS号

IUPAC Name

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-羧酸 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-carboxylic acid

InChI

InChI=1S/C54H66ClN9O9S/c1-53(2,3)72-50(68)57-26-13-12-17-42-48(67)62(7)44(29-37-33-63(52(70)71)43-19-10-9-16-39(37)43)47(66)60-32-40-38(35-23-21-34(30-56)22-24-35)25-28-64(55)49(40)74-45-20-11-8-15-36(45)31-59-41(46(65)61-42)18-14-27-58-51(69)73-54(4,5)6/h8-11,15-16,19-25,33,41-42,44,59H,12-14,17-18,26-29,31-32H2,1-7H3,(H,57,68)(H,58,69)(H,60,66)(H,61,65)(H,70,71)/t41-,42-,44-/m0/s1

InChI Key

CNKFSVJNFAFPEI-HZTJMKOHSA-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)O)C

别名

• SCHEMBL21404818