[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] (2S)-2-acetamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] (2S)-2-acetamido-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] (2S)-2-acetamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-acetamido-4-(methylthio)butanoic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] (2S)-2-acetamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-acetamido-4-(methylthio)butyric acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C15H21N3O6S2 MolecularWeight: 403.47374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)OCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CCSC)C(=O)OCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C15H21N3O6S2/c1-10(19)17-13(7-8-25-2)15(21)24-9-14(20)18-11-3-5-12(6-4-11)26(16,22)23/h3-6,13H,7-9H2,1-2H3,(H,17,19)(H,18,20)(H2,16,22,23)/t13-/m0/s1