4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-3a-[(5-methyl-1,3,4-oxadiazol-2-yl)carbonylamino]-2-oxidanylidene-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-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-3a-[(5-methyl-1,3,4-oxadiazol-2-yl)carbonylamino]-2-oxidanylidene-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-oxidanylidene-butanoic acid Openeye Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3a-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-oxo-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-3a-[[(5-methyl-1,3,4-oxadiazol-2-yl)-oxomethyl]amino]-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]oxy]-2,2-dimethyl-4-oxobutanoic acid IUPAC Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-3a-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]-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]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-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]-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: C39H57N3O7 MolecularWeight: 679.88578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)C(=O)NC23CCC4(C(C2=C(C(=O)C3)C(C)C)CCC5C4(CCC6C5(CCC(C6(C)C)OC(=O)CC(C)(C)C(=O)O)C)C)C

Isomeric SMILES

CC1=NN=C(O1)C(=O)N[C@@]23CC[C@@]4([C@@H](C2=C(C(=O)C3)C(C)C)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)OC(=O)CC(C)(C)C(=O)O)C)C)C

InChI

InChI=1S/C39H57N3O7/c1-21(2)29-24(43)19-39(40-31(45)32-42-41-22(3)48-32)18-17-37(9)23(30(29)39)11-12-26-36(8)15-14-27(49-28(44)20-34(4,5)33(46)47)35(6,7)25(36)13-16-38(26,37)10/h21,23,25-27H,11-20H2,1-10H3,(H,40,45)(H,46,47)/t23-,25+,26-,27+,36+,37-,38-,39-/m1/s1