化学式

CAS号

IUPAC Name

甲基(4R)-4-[3-[[4-[9-[2-(chloroamino)乙基]-7-[1-[2-[[(7R,10R,11S)-13-[(2R)-5-甲氧基-5-oxopentan-2-基]-2,14-二甲基-5-四环[8.6.0.02,7.011,14]hexadecanyl]氧基]-2-氧代乙基]三唑-4-基]咔唑-2-基]三唑-1-基]甲基]-3-羟基-10,13-二甲基-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]菲-17- methyl (4R)-4-[3-[[4-[9-[2-(chloroamino)ethyl]-7-[1-[2-[[(7R,10R,11S)-13-[(2R)-5-methoxy-5-oxopentan-2-yl]-2,14-dimethyl-5-tetracyclo[8.6.0.02,7.011,14]hexadecanyl]oxy]-2-oxoethyl]triazol-4-yl]carbazol-2-yl]triazol-1-yl]methyl]-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

InChI

InChI=1S/C70H97ClN8O7/c1-42(9-21-63(80)84-7)53-19-20-54-51-18-14-47-37-70(83,30-29-67(47,4)55(51)24-27-68(53,54)5)41-78-39-60(74-76-78)45-12-16-50-49-15-11-44(33-61(49)79(32-31-72-71)62(50)34-45)59-38-77(75-73-59)40-65(82)86-48-23-26-66(3)46(35-48)13-17-52-56(66)25-28-69(6)57(36-58(52)69)43(2)10-22-64(81)85-8/h11-12,15-16,33-34,38-39,42-43,46-48,51-58,72,83H,9-10,13-14,17-32,35-37,40-41H2,1-8H3/t42-,43-,46-,47?,48?,51?,52-,53?,54?,55?,56?,57?,58+,66?,67?,68?,69?,70?/m1/s1

InChI Key

RKZBVJLJOMGJDQ-GAAXTYNQSA-N

Canonical SMILES

CC(CCC(=O)OC)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)(CN5C=C(N=N5)C6=CC7=C(C=C6)C8=C(N7CCNCl)C=C(C=C8)C9=CN(N=N9)CC(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CC2C(C)CCC(=O)OC)C)C)O)C)C

别名

• SCHEMBL22894577