(2R)-3-(4-hydroxyphenyl)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid

Systemtic Name: (2R)-3-(4-hydroxyphenyl)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid Openeye Name: (2R)-3-(4-hydroxyphenyl)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid CAS Name: (2R)-3-(4-hydroxyphenyl)-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: (2R)-3-(4-hydroxyphenyl)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid Traditional Name: (2R)-3-(4-hydroxyphenyl)-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]propionic acid Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1C[C@H](C(=O)O)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)O

InChI

InChI=1S/C17H19N3O5S2/c18-27(24,25)14-7-3-12(4-8-14)10-19-17(26)20-15(16(22)23)9-11-1-5-13(21)6-2-11/h1-8,15,21H,9-10H2,(H,22,23)(H2,18,24,25)(H2,19,20,26)/t15-/m1/s1