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

Systemtic Name: 2-[[4-methyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanoyl]amino]ethanoic acid Openeye Name: 2-[[4-methyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanoyl]amino]acetic acid CAS Name: 2-[[4-methyl-1-oxo-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]pentyl]amino]acetic acid IUPAC Name: 2-[[4-methyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanoyl]amino]acetic acid Traditional Name: 2-[[4-methyl-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]pentanoyl]amino]acetic acid Formula: C16H24N4O5S2 MolecularWeight: 416.51556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)O)NC(=S)NCC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)O)NC(=S)NCC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C16H24N4O5S2/c1-10(2)7-13(15(23)18-9-14(21)22)20-16(26)19-8-11-3-5-12(6-4-11)27(17,24)25/h3-6,10,13H,7-9H2,1-2H3,(H,18,23)(H,21,22)(H2,17,24,25)(H2,19,20,26)