3-[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-[(4-methylcyclohexyl)amino]ethyl]thio]propionic acid Formula: C12H21NO3S MolecularWeight: 259.36504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CSCCC(=O)O

Isomeric SMILES

CC1CCC(CC1)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C12H21NO3S/c1-9-2-4-10(5-3-9)13-11(14)8-17-7-6-12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)