3-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl]thio]propionic acid Formula: C13H23NO3S MolecularWeight: 273.39162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSCCC(=O)O

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C13H23NO3S/c1-9-4-3-5-11(10(9)2)14-12(15)8-18-7-6-13(16)17/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)