O7-tert-butyl O1-(phenylmethyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-heptanedioate

Systemtic Name: O7-tert-butyl O1-(phenylmethyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-heptanedioate Openeye Name: O1-benzyl O7-tert-butyl 3-(tert-butoxycarbonylamino)-4-oxo-heptanedioate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxoheptanedioic acid O7-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 7-O-tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoheptanedioate Traditional Name: 3-(tert-butoxycarbonylamino)-4-keto-pimelic acid O1-benzyl ester O7-tert-butyl ester Formula: C23H33NO7 MolecularWeight: 435.51062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(=O)C(CC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CCC(=O)C(CC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H33NO7/c1-22(2,3)30-19(26)13-12-18(25)17(24-21(28)31-23(4,5)6)14-20(27)29-15-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3,(H,24,28)