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

Systemtic Name: 3-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]propanoic acid Openeye Name: 3-[[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]amino]propanoic acid CAS Name: 3-[[1-(1-azepanyl)-1-oxopropan-2-yl]amino]propanoic acid IUPAC Name: 3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]propanoic acid Traditional Name: 3-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]amino]propionic acid Formula: C12H22N2O3 MolecularWeight: 242.31468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)NCCC(=O)O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)NCCC(=O)O

InChI

InChI=1S/C12H22N2O3/c1-10(13-7-6-11(15)16)12(17)14-8-4-2-3-5-9-14/h10,13H,2-9H2,1H3,(H,15,16)