[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H35N3O5/c1-17(2)23(30-24(33)18-12-14-19(15-13-18)27(3,4)5)25(34)36-16-22(32)31-21-11-9-8-10-20(21)29-26(35)28(31,6)7/h8-15,17,23H,16H2,1-7H3,(H,29,35)(H,30,33)/t23-/m0/s1