2-azanyl-3-[2-(4-methyl-2-oxidanylidene-cyclohexyl)propan-2-ylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(4-methyl-2-oxidanylidene-cyclohexyl)propan-2-ylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[1-methyl-1-(4-methyl-2-oxo-cyclohexyl)ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[2-(4-methyl-2-oxocyclohexyl)propan-2-ylthio]propanoic acid IUPAC Name: 2-amino-3-[2-(4-methyl-2-oxocyclohexyl)propan-2-ylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[1-(2-keto-4-methyl-cyclohexyl)-1-methyl-ethyl]thio]propionic acid Formula: C13H23NO3S MolecularWeight: 273.39162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1)C(C)(C)SCC(C(=O)O)N

Isomeric SMILES

CC1CCC(C(=O)C1)C(C)(C)SCC(C(=O)O)N

InChI

InChI=1S/C13H23NO3S/c1-8-4-5-9(11(15)6-8)13(2,3)18-7-10(14)12(16)17/h8-10H,4-7,14H2,1-3H3,(H,16,17)