2-[[4-methyl-2-[(4-sulfamoylphenyl)carbamothioylamino]pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[4-methyl-2-[(4-sulfamoylphenyl)carbamothioylamino]pentanoyl]amino]ethanoic acid Openeye Name: 2-[[4-methyl-2-[(4-sulfamoylphenyl)carbamothioylamino]pentanoyl]amino]acetic acid CAS Name: 2-[[4-methyl-1-oxo-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]pentyl]amino]acetic acid IUPAC Name: 2-[[4-methyl-2-[(4-sulfamoylphenyl)carbamothioylamino]pentanoyl]amino]acetic acid Traditional Name: 2-[[4-methyl-2-[(4-sulfamoylphenyl)thiocarbamoylamino]pentanoyl]amino]acetic acid Formula: C15H22N4O5S2 MolecularWeight: 402.48898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C15H22N4O5S2/c1-9(2)7-12(14(22)17-8-13(20)21)19-15(25)18-10-3-5-11(6-4-10)26(16,23)24/h3-6,9,12H,7-8H2,1-2H3,(H,17,22)(H,20,21)(H2,16,23,24)(H2,18,19,25)