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

Systemtic Name: 2-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]butanoic acid Openeye Name: 2-[[2-(2-oxoazepan-1-yl)acetyl]amino]butanoic acid CAS Name: 2-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]butanoic acid IUPAC Name: 2-[[2-(2-oxoazepan-1-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(2-ketoazepan-1-yl)acetyl]amino]butyric acid Formula: C12H20N2O4 MolecularWeight: 256.2982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CN1CCCCCC1=O

Isomeric SMILES

CCC(C(=O)O)NC(=O)CN1CCCCCC1=O

InChI

InChI=1S/C12H20N2O4/c1-2-9(12(17)18)13-10(15)8-14-7-5-3-4-6-11(14)16/h9H,2-8H2,1H3,(H,13,15)(H,17,18)