[2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]-4-(methylthio)butanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]-4-(methylthio)butyric acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C18H25N3O6S2 MolecularWeight: 443.5376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)OCC(=O)NC2CC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCSC)C(=O)OCC(=O)NC2CC2

InChI

InChI=1S/C18H25N3O6S2/c1-12(22)19-13-5-7-15(8-6-13)29(25,26)21-16(9-10-28-2)18(24)27-11-17(23)20-14-3-4-14/h5-8,14,16,21H,3-4,9-11H2,1-2H3,(H,19,22)(H,20,23)/t16-/m0/s1