化学式

CAS号

IUPAC Name

(4R)-4-[(7S,8S,10R,11S)-5-[2-[4-[7-[1-[2-[[17-[(2R)-5-(丁基氨基)-5-oxopentan-2-基]-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-环戊并[a]菲-3-基]氧基]-2-氧代乙基]三唑-4-基]-9-[2-(chloroamino)乙基]咔唑-2-基]三唑-1-基]乙酰基]氧基-2,8,14-三甲基-13-四环[8.6.0.02,7.011,14]hexadec (4R)-4-[(7S,8S,10R,11S)-5-[2-[4-[7-[1-[2-[[17-[(2R)-5-(butylamino)-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethyl]triazol-4-yl]-9-[2-(chloroamino)ethyl]carbazol-2-yl]triazol-1-yl]acetyl]oxy-2,8,14-trimethyl-13-tetracyclo[8.6.0.02,7.011,14]hexadecanyl]pentanoic acid

InChI

InChI=1S/C74H104ClN9O7/c1-9-10-31-76-67(85)21-11-44(2)56-19-20-57-54-18-15-49-37-50(23-27-71(49,5)58(54)25-29-72(56,57)6)90-69(88)42-82-40-63(78-80-82)47-13-16-52-53-17-14-48(36-66(53)84(33-32-77-75)65(52)35-47)64-41-83(81-79-64)43-70(89)91-51-24-28-73(7)59-26-30-74(8)61(45(3)12-22-68(86)87)39-62(74)55(59)34-46(4)60(73)38-51/h13-14,16-17,35-36,40-41,44-46,49-51,54-62,77H,9-12,15,18-34,37-39,42-43H2,1-8H3,(H,76,85)(H,86,87)/t44-,45-,46+,49?,50?,51?,54?,55-,56?,57?,58?,59?,60+,61?,62+,71?,72?,73?,74?/m1/s1

InChI Key

RONJLIBRYAUFCG-PZAWIESFSA-N

Canonical SMILES

CCCCNC(=O)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)CN5C=C(N=N5)C6=CC7=C(C=C6)C8=C(N7CCNCl)C=C(C=C8)C9=CN(N=N9)CC(=O)OC1CCC2(C3CCC4(C(C3CC(C2C1)C)CC4C(C)CCC(=O)O)C)C)C)C

别名

• SCHEMBL22894401