化学式

CAS号

IUPAC Name

3-[(1R,3aR,5aR,5bR,7aS,11aS,11bR,13aS,13bS)-9-[羧基-[[1-氯-3-(chloroamino)-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-[[1-氯-3-(chloroamino)-2,3-二甲基丁烷-2-基]氨基]丙酸 3-[(1R,3aR,5aR,5bR,7aS,11aS,11bR,13aS,13bS)-9-[carboxy-[[1-chloro-3-(chloroamino)-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-[[1-chloro-3-(chloroamino)-2,3-dimethylbutan-2-yl]amino]propanoic acid

InChI

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

InChI Key

RNVWOLVSTVGUPP-GKNOSBEVSA-N

Canonical SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)C(C(=O)O)NC(C)(CCl)C(C)(C)NCl)C)CC(C(=O)O)NC(C)(CCl)C(C)(C)NCl

别名