2-[1-azanyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-azepan-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-azanyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-azepan-1-ium-1-yl]ethanoic acid Openeye Name: 2-(1-amino-3-tert-butoxycarbonyl-2-oxo-azepan-1-ium-1-yl)acetic acid CAS Name: 2-[1-amino-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-oxo-1-azepan-1-iumyl]acetic acid IUPAC Name: 2-[1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoazepan-1-ium-1-yl]acetic acid Traditional Name: 2-(1-amino-3-tert-butoxycarbonyl-2-keto-azepan-1-ium-1-yl)acetic acid Formula: C13H23N2O5+ MolecularWeight: 287.33212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCC[N+](C1=O)(CC(=O)O)N

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCC[N+](C1=O)(CC(=O)O)N

InChI

InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)9-6-4-5-7-15(14,11(9)18)8-10(16)17/h9H,4-8,14H2,1-3H3/p+1