(2S)-2-[(4-acetamidophenyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(4-acetamidophenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(4-acetamidophenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-acetamidoanilino)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(4-acetamidophenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)carbamoylamino]-4-(methylthio)butyrate Formula: C14H18N3O4S- MolecularWeight: 324.37542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C14H19N3O4S/c1-9(18)15-10-3-5-11(6-4-10)16-14(21)17-12(13(19)20)7-8-22-2/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,19,20)(H2,16,17,21)/p-1/t12-/m0/s1