2-methyl-3-[methyl-(2-phenylsulfanylcyclohexyl)amino]-3-oxidanylidene-2-phenyl-propanoic acid

Systemtic Name: 2-methyl-3-[methyl-(2-phenylsulfanylcyclohexyl)amino]-3-oxidanylidene-2-phenyl-propanoic acid Openeye Name: 2-methyl-3-[methyl-(2-phenylsulfanylcyclohexyl)amino]-3-oxo-2-phenyl-propanoic acid CAS Name: 2-methyl-3-[methyl-[2-(phenylthio)cyclohexyl]amino]-3-oxo-2-phenylpropanoic acid IUPAC Name: 2-methyl-3-[methyl-(2-phenylsulfanylcyclohexyl)amino]-3-oxo-2-phenylpropanoic acid Traditional Name: 3-keto-2-methyl-3-[methyl-[2-(phenylthio)cyclohexyl]amino]-2-phenyl-propionic acid Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=O)N(C)C2CCCCC2SC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)(C(=O)N(C)C2CCCCC2SC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H27NO3S/c1-23(22(26)27,17-11-5-3-6-12-17)21(25)24(2)19-15-9-10-16-20(19)28-18-13-7-4-8-14-18/h3-8,11-14,19-20H,9-10,15-16H2,1-2H3,(H,26,27)