(2R)-4-azanyl-4-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]butanoic acid

Systemtic Name: (2R)-4-azanyl-4-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]butanoic acid Openeye Name: (2R)-4-amino-4-oxo-2-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]butanoic acid CAS Name: (2R)-4-amino-4-oxo-2-[[[2-(4-sulfamoylphenyl)ethylamino]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: (2R)-4-amino-4-oxo-2-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]butanoic acid Traditional Name: (2R)-4-amino-4-keto-2-[2-(4-sulfamoylphenyl)ethylthiocarbamoylamino]butyric acid Formula: C13H18N4O5S2 MolecularWeight: 374.43582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=S)NC(CC(=O)N)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=S)N[C@H](CC(=O)N)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C13H18N4O5S2/c14-11(18)7-10(12(19)20)17-13(23)16-6-5-8-1-3-9(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)/t10-/m1/s1