2-[[4-oxidanyl-4-oxidanylidene-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoyl]amino]butanedioic acid

Systemtic Name: 2-[[4-oxidanyl-4-oxidanylidene-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoyl]amino]butanedioic acid Openeye Name: 2-[[4-hydroxy-4-oxo-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoyl]amino]butanedioic acid CAS Name: 2-[[4-hydroxy-1,4-dioxo-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]butyl]amino]butanedioic acid IUPAC Name: 2-[[4-hydroxy-4-oxo-2-[(4-sulfamoylphenyl)carbamothioylamino]butanoyl]amino]butanedioic acid Traditional Name: 2-[[4-hydroxy-4-keto-2-[(4-sulfamoylphenyl)thiocarbamoylamino]butanoyl]amino]succinic acid Formula: C15H18N4O9S2 MolecularWeight: 462.45482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C15H18N4O9S2/c16-30(27,28)8-3-1-7(2-4-8)17-15(29)19-9(5-11(20)21)13(24)18-10(14(25)26)6-12(22)23/h1-4,9-10H,5-6H2,(H,18,24)(H,20,21)(H,22,23)(H,25,26)(H2,16,27,28)(H2,17,19,29)