化学式

CAS号

IUPAC Name

(4R)-4-[(7S,8S,10R)-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-[氯(甲基)氨基]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]hexadecanyl]戊酸 (4R)-4-[(7S,8S,10R)-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-[chloro(methyl)amino]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/C75H106ClN9O7/c1-10-11-32-77-68(86)22-12-45(2)57-20-21-58-55-19-16-50-38-51(24-28-72(50,5)59(55)26-30-73(57,58)6)91-70(89)43-83-41-64(78-80-83)48-14-17-53-54-18-15-49(37-67(54)85(66(53)36-48)34-33-82(9)76)65-42-84(81-79-65)44-71(90)92-52-25-29-74(7)60-27-31-75(8)62(46(3)13-23-69(87)88)40-63(75)56(60)35-47(4)61(74)39-52/h14-15,17-18,36-37,41-42,45-47,50-52,55-63H,10-13,16,19-35,38-40,43-44H2,1-9H3,(H,77,86)(H,87,88)/t45-,46-,47+,50?,51?,52?,55?,56-,57?,58?,59?,60?,61+,62?,63?,72?,73?,74?,75?/m1/s1

InChI Key

IJLQDJYKGICZTH-VAQVFKAISA-N

Canonical SMILES

CCCCNC(=O)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)CN5C=C(N=N5)C6=CC7=C(C=C6)C8=C(N7CCN(C)Cl)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

• SCHEMBL22894391