3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-5-propan-2-yl-benzoic acid

Systemtic Name: 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-5-propan-2-yl-benzoic acid Openeye Name: 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]-5-isopropyl-benzoic acid CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-5-propan-2-ylbenzoic acid IUPAC Name: 3-[(2-benzyl-3-sulfanylpropanoyl)amino]-5-propan-2-ylbenzoic acid Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]-5-isopropyl-benzoic acid Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-13(2)15-9-16(20(23)24)11-18(10-15)21-19(22)17(12-25)8-14-6-4-3-5-7-14/h3-7,9-11,13,17,25H,8,12H2,1-2H3,(H,21,22)(H,23,24)