化学式

CAS号

IUPAC Name

(1R,3S)-3-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-[[2-[[(2S)-2-(chloroamino)-3-甲基丁酰基]氨基]-2-甲基丙酰基]氨基]-5a,5b,8,8,11a-五甲基-2-氧代-1-丙烷-2-基-4,5,6,7,7a,9,10,11,11b,12,13,13a-十二氢-3H-环戊并[a]chrysen-9-基]oxycarbonyl]-2,2-二甲基环丁烷-1-羧酸 (1R,3S)-3-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-[[2-[[(2S)-2-(chloroamino)-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxycarbonyl]-2,2-dimethylcyclobutane-1-carboxylic acid

InChI

InChI=1S/C46H72ClN3O7/c1-24(2)33-29(51)23-46(49-39(56)42(9,10)48-36(52)35(50-47)25(3)4)21-20-44(12)26(34(33)46)14-15-31-43(11)18-17-32(41(7,8)30(43)16-19-45(31,44)13)57-38(55)28-22-27(37(53)54)40(28,5)6/h24-28,30-32,35,50H,14-23H2,1-13H3,(H,48,52)(H,49,56)(H,53,54)/t26-,27+,28-,30+,31-,32+,35+,43+,44-,45-,46-/m1/s1

InChI Key

SPKHWBARIOUMQA-KLZAFZIASA-N

Canonical SMILES

CC(C)C1=C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)NC(=O)C(C)(C)NC(=O)C(C(C)C)NCl)C)C)(C)C)OC(=O)C6CC(C6(C)C)C(=O)O)C

别名

• SCHEMBL18375892