4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxidanylidene-1-propan-2-yl-3a-[[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]carbamoylamino]-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxidanylidene-1-propan-2-yl-3a-[[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]carbamoylamino]-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3a-[[(1S)-2,2,2-trifluoro-1-methyl-ethyl]carbamoylamino]-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid CAS Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxo-3a-[[oxo-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]methyl]amino]-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid IUPAC Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-3a-[[(2S)-1,1,1-trifluoropropan-2-yl]carbamoylamino]-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid Traditional Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-2-keto-5a,5b,8,8,11a-pentamethyl-3a-[[(1S)-2,2,2-trifluoro-1-methyl-ethyl]carbamoylamino]-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-4-keto-2,2-dimethyl-butyric acid Formula: C39H59F3N2O6 MolecularWeight: 708.89077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)NC(=O)NC(C)C(F)(F)F)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C

Isomeric SMILES

C[C@@H](C(F)(F)F)NC(=O)N[C@@]12CC[C@@]3([C@@H](C1=C(C(=O)C2)C(C)C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)CC(C)(C)C(=O)O)C)C)C

InChI

InChI=1S/C39H59F3N2O6/c1-21(2)29-24(45)19-38(44-32(49)43-22(3)39(40,41)42)18-17-36(9)23(30(29)38)11-12-26-35(8)15-14-27(50-28(46)20-33(4,5)31(47)48)34(6,7)25(35)13-16-37(26,36)10/h21-23,25-27H,11-20H2,1-10H3,(H,47,48)(H2,43,44,49)/t22-,23+,25-,26+,27-,35-,36+,37+,38+/m0/s1