3-methyl-2-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(2-ketoazepan-1-yl)acetyl]amino]-3-methyl-butyric acid Formula: C13H22N2O4 MolecularWeight: 270.32478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CN1CCCCCC1=O

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CN1CCCCCC1=O

InChI

InChI=1S/C13H22N2O4/c1-9(2)12(13(18)19)14-10(16)8-15-7-5-3-4-6-11(15)17/h9,12H,3-8H2,1-2H3,(H,14,16)(H,18,19)