(2R)-4-(4-methylphenyl)-2-[[(2S)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]azaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-methylphenyl)-2-[[(2S)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]azaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[[(1S)-1-carboxylato-3-methylsulfanyl-propyl]ammonio]-4-oxo-4-(p-tolyl)butanoate CAS Name: (2R)-4-(4-methylphenyl)-2-[[(2S)-4-(methylthio)-1-oxido-1-oxobutan-2-yl]ammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-methylphenyl)-2-[[(2S)-4-methylsulfanyl-1-oxido-1-oxobutan-2-yl]azaniumyl]-4-oxobutanoate Traditional Name: (2R)-2-[[(1S)-1-carboxylato-3-(methylthio)propyl]ammonio]-4-keto-4-(p-tolyl)butyrate Formula: C16H20NO5S- MolecularWeight: 338.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]C(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+][C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C16H21NO5S/c1-10-3-5-11(6-4-10)14(18)9-13(16(21)22)17-12(15(19)20)7-8-23-2/h3-6,12-13,17H,7-9H2,1-2H3,(H,19,20)(H,21,22)/p-1/t12-,13+/m0/s1