化学式

CAS号

IUPAC Name

3-[(1R,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-9-[羧基-[[3-(dichloroamino)-2,3-二甲基丁烷-2-基]氨基]甲基]-5a,5b,8,8,11a-五甲基-1-丙-1-烯-2-基-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-基]-2-[[3-(dichloroamino)-2,3-二甲基丁烷-2-基]氨基]丙酸 3-[(1R,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-9-[carboxy-[[3-(dichloroamino)-2,3-dimethylbutan-2-yl]amino]methyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]-2-[[3-(dichloroamino)-2,3-dimethylbutan-2-yl]amino]propanoic acid

InChI

InChI=1S/C46H78Cl4N4O4/c1-27(2)28-18-23-46(26-31(36(55)56)51-39(5,6)41(9,10)53(47)48)25-24-44(14)29(34(28)46)16-17-33-43(13)21-19-30(38(3,4)32(43)20-22-45(33,44)15)35(37(57)58)52-40(7,8)42(11,12)54(49)50/h28-35,51-52H,1,16-26H2,2-15H3,(H,55,56)(H,57,58)/t28-,29+,30?,31?,32-,33+,34+,35?,43-,44+,45+,46+/m0/s1

InChI Key

WVEBDYXZQNDYME-JVSLIWNHSA-N

Canonical SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)C(C(=O)O)NC(C)(C)C(C)(C)N(Cl)Cl)C)CC(C(=O)O)NC(C)(C)C(C)(C)N(Cl)Cl

别名

• SCHEMBL4661278