4-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]butanoic acid

Systemtic Name: 4-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]butanoic acid Openeye Name: 4-[[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[1-(1-azepanyl)-1-oxopropan-2-yl]amino]butanoic acid IUPAC Name: 4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]butanoic acid Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]amino]butyric acid Formula: C13H24N2O3 MolecularWeight: 256.34126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)NCCCC(=O)O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)NCCCC(=O)O

InChI

InChI=1S/C13H24N2O3/c1-11(14-8-6-7-12(16)17)13(18)15-9-4-2-3-5-10-15/h11,14H,2-10H2,1H3,(H,16,17)