3-phenyl-2-[2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoylamino]propanoic acid Openeye Name: 3-phenyl-2-[2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoylamino]propanoic acid CAS Name: 2-[[1-oxo-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]propyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoylamino]propanoic acid Traditional Name: 3-phenyl-2-[2-[(4-sulfamoylbenzyl)thiocarbamoylamino]propanoylamino]propionic acid Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C20H24N4O5S2/c1-13(18(25)24-17(19(26)27)11-14-5-3-2-4-6-14)23-20(30)22-12-15-7-9-16(10-8-15)31(21,28)29/h2-10,13,17H,11-12H2,1H3,(H,24,25)(H,26,27)(H2,21,28,29)(H2,22,23,30)