1-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 1-[(2-benzyl-3-sulfanyl-propanoyl)amino]cyclohexanecarboxylic acid CAS Name: 1-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(2-benzyl-3-sulfanylpropanoyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[(2-benzyl-3-mercapto-propanoyl)amino]cyclohexanecarboxylic acid Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

C1CCC(CC1)(C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C17H23NO3S/c19-15(14(12-22)11-13-7-3-1-4-8-13)18-17(16(20)21)9-5-2-6-10-17/h1,3-4,7-8,14,22H,2,5-6,9-12H2,(H,18,19)(H,20,21)