2-azanyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]propionic acid Formula: C12H22N2O3S MolecularWeight: 274.37968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSCC(C(=O)O)N)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSCC(C(=O)O)N)C

InChI

InChI=1S/C12H22N2O3S/c1-8-3-9(2)5-14(4-8)11(15)7-18-6-10(13)12(16)17/h8-10H,3-7,13H2,1-2H3,(H,16,17)