1-[(2S)-4-methyl-2-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonylamino]pentanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2S)-4-methyl-2-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonylamino]pentanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-4-methyl-1-oxo-2-[[oxo-(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]amino]pentyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2S)-2-[(3-keto-2,4-dihydroquinoxaline-1-carbonyl)amino]-4-methyl-pentanoyl]isonipecotic acid Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)C(=O)O)NC(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C21H28N4O5/c1-13(2)11-16(19(27)24-9-7-14(8-10-24)20(28)29)23-21(30)25-12-18(26)22-15-5-3-4-6-17(15)25/h3-6,13-14,16H,7-12H2,1-2H3,(H,22,26)(H,23,30)(H,28,29)/t16-/m0/s1