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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)C(CC2=CC=CC=C2)CS)(C(=O)O)N

Isomeric SMILES

C1CCC(C(C1)C(=O)C(CC2=CC=CC=C2)CS)(C(=O)O)N

InChI

InChI=1S/C17H23NO3S/c18-17(16(20)21)9-5-4-8-14(17)15(19)13(11-22)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,22H,4-5,8-11,18H2,(H,20,21)