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

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-5-propan-2-yl-benzoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-5-isopropyl-benzoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-5-propan-2-ylbenzoic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-5-propan-2-ylbenzoic acid Traditional Name: 2-[(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(=C(C=C1)NC(=O)C(CC2=CC=CC=C2)CS)C(=O)O

Isomeric SMILES

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

InChI

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