3-[[2-(2-azanylethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-(2-azanylethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-[(2-aminoacetyl)sulfanylmethyl]-3-phenyl-propanoyl]amino]benzoic acid CAS Name: 3-[[2-[[(2-amino-1-oxoethyl)thio]methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[[2-[(2-aminoacetyl)sulfanylmethyl]-3-phenylpropanoyl]amino]benzoic acid Traditional Name: 3-[[2-benzyl-3-(glycylthio)propanoyl]amino]benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=O)CN)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=O)CN)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H20N2O4S/c20-11-17(22)26-12-15(9-13-5-2-1-3-6-13)18(23)21-16-8-4-7-14(10-16)19(24)25/h1-8,10,15H,9,11-12,20H2,(H,21,23)(H,24,25)