5-azanyl-5-oxidanylidene-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanoic acid

Systemtic Name: 5-azanyl-5-oxidanylidene-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanoic acid Openeye Name: 5-amino-5-oxo-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanoic acid CAS Name: 5-amino-5-oxo-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]pentanoic acid IUPAC Name: 5-amino-5-oxo-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanoic acid Traditional Name: 5-amino-5-keto-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]valeric acid Formula: C13H18N4O5S2 MolecularWeight: 374.43582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC(CCC(=O)N)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC(CCC(=O)N)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C13H18N4O5S2/c14-11(18)6-5-10(12(19)20)17-13(23)16-7-8-1-3-9(4-2-8)24(15,21)22/h1-4,10H,5-7H2,(H2,14,18)(H,19,20)(H2,15,21,22)(H2,16,17,23)