(2S)-4-methyl-2-[2-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonylamino]ethanoylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[2-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonylamino]ethanoylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[1-oxo-2-[[oxo-(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]amino]ethyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]pentanoate Traditional Name: (2S)-2-[[2-[(3-keto-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-4-methyl-valerate Formula: C17H21N4O5- MolecularWeight: 361.37244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)CNC(=O)N1CC(=O)NC2=CC=CC=C21

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)CNC(=O)N1CC(=O)NC2=CC=CC=C21

InChI

InChI=1S/C17H22N4O5/c1-10(2)7-12(16(24)25)20-14(22)8-18-17(26)21-9-15(23)19-11-5-3-4-6-13(11)21/h3-6,10,12H,7-9H2,1-2H3,(H,18,26)(H,19,23)(H,20,22)(H,24,25)/p-1/t12-/m0/s1