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

Systemtic Name: 1-[(2S)-3-methyl-2-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonylamino]butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-3-methyl-1-oxo-2-[[oxo-(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]amino]butyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2S)-2-[(3-keto-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-methyl-butanoyl]isonipecotic acid Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5/c1-12(2)17(18(26)23-9-7-13(8-10-23)19(27)28)22-20(29)24-11-16(25)21-14-5-3-4-6-15(14)24/h3-6,12-13,17H,7-11H2,1-2H3,(H,21,25)(H,22,29)(H,27,28)/t17-/m0/s1