3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azepane-1-carboxylic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-azepane-1-carboxylic acid Openeye Name: 3-(tert-butoxycarbonylamino)-2-oxo-azepane-1-carboxylic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1-azepanecarboxylic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepane-1-carboxylic acid Traditional Name: 3-(tert-butoxycarbonylamino)-2-keto-azepane-1-carboxylic acid Formula: C12H20N2O5 MolecularWeight: 272.2976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCN(C1=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCCN(C1=O)C(=O)O

InChI

InChI=1S/C12H20N2O5/c1-12(2,3)19-10(16)13-8-6-4-5-7-14(9(8)15)11(17)18/h8H,4-7H2,1-3H3,(H,13,16)(H,17,18)