化学式

CAS号

IUPAC Name

5-[(1R,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-9-[3-羧基-1-氯-1-(2-氯-1,2-二氮杂双环[2.2.2]辛烷-4-基)丙基]-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]-4-氯-4-(2-氯-1,2-二氮杂双环[2.2.2]辛烷-4-基)戊酸 5-[(1R,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-9-[3-carboxy-1-chloro-1-(2-chloro-1,2-diazabicyclo[2.2.2]octan-4-yl)propyl]-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]-4-chloro-4-(2-chloro-1,2-diazabicyclo[2.2.2]octan-4-yl)pentanoic acid

InChI

InChI=1S/C50H78Cl4N4O4/c1-33(2)34-10-17-46(30-49(51,18-13-39(59)60)47-22-26-55(27-23-47)57(53)31-47)21-20-44(6)35(41(34)46)8-9-38-43(5)15-11-37(42(3,4)36(43)12-16-45(38,44)7)50(52,19-14-40(61)62)48-24-28-56(29-25-48)58(54)32-48/h34-38,41H,1,8-32H2,2-7H3,(H,59,60)(H,61,62)/t34-,35+,36-,37?,38+,41+,43-,44+,45+,46+,49?,50?/m0/s1

InChI Key

HBKIFLZUWMAJTO-JYPBZPSPSA-N

Canonical SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)C(CCC(=O)O)(C67CCN(CC6)N(C7)Cl)Cl)C)CC(CCC(=O)O)(C89CCN(CC8)N(C9)Cl)Cl

别名

• SCHEMBL6536646