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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)NC(=O)C(CC2=CC=CC=C2)CS)C(=O)O

Isomeric SMILES

C1C[C@@H](C[C@@H](C1)NC(=O)C(CC2=CC=CC=C2)CS)C(=O)O

InChI

InChI=1S/C17H23NO3S/c19-16(14(11-22)9-12-5-2-1-3-6-12)18-15-8-4-7-13(10-15)17(20)21/h1-3,5-6,13-15,22H,4,7-11H2,(H,18,19)(H,20,21)/t13-,14?,15+/m0/s1