2-[2-[[1-[(4-sulfamoylphenyl)carbamothioyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[1-[(4-sulfamoylphenyl)carbamothioyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[1-[(4-sulfamoylphenyl)carbamothioyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-[[oxo-[1-[(4-sulfamoylanilino)-sulfanylidenemethyl]-2-pyrrolidinyl]methyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[[2-[[1-[(4-sulfamoylphenyl)carbamothioyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[1-[(4-sulfamoylphenyl)thiocarbamoyl]prolyl]amino]acetyl]amino]acetic acid Formula: C16H21N5O6S2 MolecularWeight: 443.49784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

C1CC(N(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C16H21N5O6S2/c17-29(26,27)11-5-3-10(4-6-11)20-16(28)21-7-1-2-12(21)15(25)19-8-13(22)18-9-14(23)24/h3-6,12H,1-2,7-9H2,(H,18,22)(H,19,25)(H,20,28)(H,23,24)(H2,17,26,27)