2-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]-2-methyl-pentanoic acid

Systemtic Name: 2-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]-2-methyl-pentanoic acid Openeye Name: 2-[[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]amino]-2-methyl-pentanoic acid CAS Name: 2-[[1-(1-azepanyl)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid IUPAC Name: 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]amino]-2-methyl-valeric acid Formula: C15H28N2O3 MolecularWeight: 284.39442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(C)C(=O)N1CCCCCC1

Isomeric SMILES

CCCC(C)(C(=O)O)NC(C)C(=O)N1CCCCCC1

InChI

InChI=1S/C15H28N2O3/c1-4-9-15(3,14(19)20)16-12(2)13(18)17-10-7-5-6-8-11-17/h12,16H,4-11H2,1-3H3,(H,19,20)