(2S)-4-methylsulfanyl-2-[(2-nitrophenyl)carbonylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[(2-nitrophenyl)carbonylamino]butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[(2-nitrobenzoyl)amino]butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[(2-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[(2-nitrobenzoyl)amino]butanoic acid Traditional Name: (2S)-4-(methylthio)-2-[(2-nitrobenzoyl)amino]butyric acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5S/c1-20-7-6-9(12(16)17)13-11(15)8-4-2-3-5-10(8)14(18)19/h2-5,9H,6-7H2,1H3,(H,13,15)(H,16,17)/t9-/m0/s1