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

Systemtic Name: 1-[(2S)-2-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonylamino]-3-phenyl-propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenyl-propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-1-oxo-2-[[oxo-(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]amino]-3-phenylpropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2S)-2-[(3-keto-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenyl-propanoyl]isonipecotic acid Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C(CC2=CC=CC=C2)NC(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C24H26N4O5/c29-21-15-28(20-9-5-4-8-18(20)25-21)24(33)26-19(14-16-6-2-1-3-7-16)22(30)27-12-10-17(11-13-27)23(31)32/h1-9,17,19H,10-15H2,(H,25,29)(H,26,33)(H,31,32)/t19-/m0/s1