2-azanyl-3-(2-methyl-3-oxidanylidene-5-prop-1-en-2-yl-cyclohexyl)sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-(2-methyl-3-oxidanylidene-5-prop-1-en-2-yl-cyclohexyl)sulfanyl-propanoic acid Openeye Name: 2-amino-3-(5-isopropenyl-2-methyl-3-oxo-cyclohexyl)sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-methyl-5-(1-methylethenyl)-3-oxocyclohexyl]thio]propanoic acid IUPAC Name: 2-amino-3-(2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexyl)sulfanylpropanoic acid Traditional Name: 2-amino-3-[(5-isopropenyl-3-keto-2-methyl-cyclohexyl)thio]propionic acid Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(CC1=O)C(=C)C)SCC(C(=O)O)N

Isomeric SMILES

CC1C(CC(CC1=O)C(=C)C)SCC(C(=O)O)N

InChI

InChI=1S/C13H21NO3S/c1-7(2)9-4-11(15)8(3)12(5-9)18-6-10(14)13(16)17/h8-10,12H,1,4-6,14H2,2-3H3,(H,16,17)