2-azanyl-3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 2-amino-3-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]propionic acid Formula: C12H22N2O3S MolecularWeight: 274.37968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SCC(C(=O)O)N

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SCC(C(=O)O)N

InChI

InChI=1S/C12H22N2O3S/c1-9(18-8-10(13)12(16)17)11(15)14-6-4-2-3-5-7-14/h9-10H,2-8,13H2,1H3,(H,16,17)