3-(4-hydroxyphenyl)-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C19H21NO4S/c21-16-8-6-14(7-9-16)11-17(19(23)24)20-18(22)15(12-25)10-13-4-2-1-3-5-13/h1-9,15,17,21,25H,10-12H2,(H,20,22)(H,23,24)