[2-(methylamino)-2-oxidanylidene-ethyl] (2S)-4-azanyl-4-oxidanylidene-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (2S)-4-azanyl-4-oxidanylidene-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (2S)-4-amino-4-oxo-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoate CAS Name: (2S)-4-amino-4-oxo-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]butanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (2S)-4-amino-4-oxo-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoate Traditional Name: (2S)-4-amino-4-keto-2-[(4-sulfamoylphenyl)thiocarbamoylamino]butyric acid [2-keto-2-(methylamino)ethyl] ester Formula: C14H19N5O6S2 MolecularWeight: 417.46056

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C(CC(=O)N)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CNC(=O)COC(=O)[C@H](CC(=O)N)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C14H19N5O6S2/c1-17-12(21)7-25-13(22)10(6-11(15)20)19-14(26)18-8-2-4-9(5-3-8)27(16,23)24/h2-5,10H,6-7H2,1H3,(H2,15,20)(H,17,21)(H2,16,23,24)(H2,18,19,26)/t10-/m0/s1