(2R)-4-methylsulfanyl-2-[[(2S)-3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl]carbonylamino]butanoate

Systemtic Name: (2R)-4-methylsulfanyl-2-[[(2S)-3-oxidanylidene-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl]carbonylamino]butanoate Openeye Name: (2R)-2-[[(2S)-2-isopropyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-4-(methylthio)-2-[[oxo-[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxalin-1-yl]methyl]amino]butanoate IUPAC Name: (2R)-4-methylsulfanyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoate Traditional Name: (2R)-2-[[(2S)-2-isopropyl-3-keto-2,4-dihydroquinoxaline-1-carbonyl]amino]-4-(methylthio)butyrate Formula: C17H22N3O4S- MolecularWeight: 364.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2=CC=CC=C2N1C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC(C)[C@H]1C(=O)NC2=CC=CC=C2N1C(=O)N[C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C17H23N3O4S/c1-10(2)14-15(21)18-11-6-4-5-7-13(11)20(14)17(24)19-12(16(22)23)8-9-25-3/h4-7,10,12,14H,8-9H2,1-3H3,(H,18,21)(H,19,24)(H,22,23)/p-1/t12-,14+/m1/s1