2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carbonyl]amino]acetic acid CAS Name: 2-[[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carbonyl]amino]acetic acid Traditional Name: 2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-7-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carbonyl]amino]acetic acid Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2C(=O)NCC(=O)O)CCC4C3(CCC(=O)N4)C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NCC(=O)O)CC[C@@H]4[C@@]3(CCC(=O)N4)C

InChI

InChI=1S/C21H32N2O4/c1-20-9-7-14-12(3-6-16-21(14,2)10-8-17(24)23-16)13(20)4-5-15(20)19(27)22-11-18(25)26/h12-16H,3-11H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)/t12-,13-,14-,15+,16+,20-,21+/m0/s1