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

Systemtic Name: 2-[2-[[1-[(4-sulfamoylphenyl)methylcarbamothioyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[1-[(4-sulfamoylphenyl)methylcarbamothioyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-[[oxo-[1-[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]-2-pyrrolidinyl]methyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[[2-[[1-[(4-sulfamoylphenyl)methylcarbamothioyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[1-[(4-sulfamoylbenzyl)thiocarbamoyl]prolyl]amino]acetyl]amino]acetic acid Formula: C17H23N5O6S2 MolecularWeight: 457.52442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

C1CC(N(C1)C(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C17H23N5O6S2/c18-30(27,28)12-5-3-11(4-6-12)8-21-17(29)22-7-1-2-13(22)16(26)20-9-14(23)19-10-15(24)25/h3-6,13H,1-2,7-10H2,(H,19,23)(H,20,26)(H,21,29)(H,24,25)(H2,18,27,28)