化学式

CAS号

IUPAC Name

叔-丁基3-[[(12S,15S,18S)-4-氯-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-6-(2H-四唑-5-基)-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-13-methyl-15-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-18-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-11,14,17-trioxo-6-(2H-tetrazol-5-yl)-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/C52H71ClN12O9S/c1-50(2,3)72-47(69)54-24-16-15-20-38-45(68)63(10)40(27-34-30-64(49(71)74-52(7,8)9)39-22-13-12-19-36(34)39)44(67)57-29-33-26-35(42-59-61-62-60-42)31-65(53)46(33)75-41-23-14-11-18-32(41)28-56-37(43(66)58-38)21-17-25-55-48(70)73-51(4,5)6/h11-14,18-19,22-23,26,30,37-38,40,56H,15-17,20-21,24-25,27-29,31H2,1-10H3,(H,54,69)(H,55,70)(H,57,67)(H,58,66)(H,59,60,61,62)/t37-,38-,40-/m0/s1

InChI Key

NMRYPRWMZCMXJF-ZHTZQEILSA-N

Canonical SMILES

CC(C)(C)OC(=O)NCCCCC1C(=O)N(C(C(=O)NCC2=C(N(CC(=C2)C3=NNN=N3)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

• SCHEMBL21404830