(2R,3R,4S,5S,6R)-2-{[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-4-{12-[(3R)-3-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]butyl]-7,17-bis(2,3,4,5,6-pentafluorophenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl}butan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

化合物标识与属性

PubChem CID

101582740

SMILES

C[C@H](CCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C6=C(C(=C(C(=C6F)F)F)F)F)C=C4)CC[C@@H](C)[C@H]7CC[C@@H]8[C@@]7(CC[C@H]9[C@H]8CC[C@H]1[C@@]9(CC[C@H](C1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C=C3)C1=C(C(=C(C(=C1F)F)F)F)F)N2)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CC[C@H]2[C@@]1(CC[C@H](C2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C

Canonical SMILES

C[C@H](CCc1c2nc(c(-c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)c(CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)c3ccc([nH]3)c(-c3c(F)c(F)c(F)c(F)c3F)c3nc1C=C3)C=C2)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C