1-azanyl-2-[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-azanyl-2-[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]-1-amino-cyclohexanecarboxylic acid CAS Name: 2-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-1-amino-1-cyclohexanecarboxylic acid IUPAC Name: 2-[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]-1-aminocyclohexane-1-carboxylic acid Traditional Name: 2-[2-[(acetylthio)methyl]-3-phenyl-propanoyl]-1-amino-cyclohexanecarboxylic acid Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)C2CCCCC2(C(=O)O)N

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)C2CCCCC2(C(=O)O)N

InChI

InChI=1S/C19H25NO4S/c1-13(21)25-12-15(11-14-7-3-2-4-8-14)17(22)16-9-5-6-10-19(16,20)18(23)24/h2-4,7-8,15-16H,5-6,9-12,20H2,1H3,(H,23,24)