4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-2-phenyl-butaneperoxoic acid

Systemtic Name: 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-2-phenyl-butaneperoxoic acid Openeye Name: 4-[2-(tert-butoxycarbonylamino)hexanoylamino]-2-phenyl-butaneperoxoic acid CAS Name: 4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-2-phenylbutaneperoxoic acid IUPAC Name: 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-2-phenylbutaneperoxoic acid Traditional Name: 4-[2-(tert-butoxycarbonylamino)hexanoylamino]-2-phenyl-peroxybutyric acid Formula: C21H32N2O6 MolecularWeight: 408.48858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCCC(C1=CC=CC=C1)C(=O)OO)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(C(=O)NCCC(C1=CC=CC=C1)C(=O)OO)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N2O6/c1-5-6-12-17(23-20(26)28-21(2,3)4)18(24)22-14-13-16(19(25)29-27)15-10-8-7-9-11-15/h7-11,16-17,27H,5-6,12-14H2,1-4H3,(H,22,24)(H,23,26)