(2S)-2-[(3-methyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(3-methyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(3-methyl-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(3-methyl-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(3-methyl-4-nitro-benzoyl)amino]-4-(methylthio)butyrate Formula: C13H15N2O5S- MolecularWeight: 311.3336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-8-7-9(3-4-11(8)15(19)20)12(16)14-10(13(17)18)5-6-21-2/h3-4,7,10H,5-6H2,1-2H3,(H,14,16)(H,17,18)/p-1/t10-/m0/s1