O1-[4-(4-heptylphenyl)butanoylamino] O6-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate

Systemtic Name: O1-[4-(4-heptylphenyl)butanoylamino] O6-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Openeye Name: O6-benzyl O1-[4-(4-heptylphenyl)butanoylamino] 2-(tert-butoxycarbonylamino)hexanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanedioic acid O1-[[4-(4-heptylphenyl)-1-oxobutyl]amino] ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-[4-(4-heptylphenyl)butanoylamino] 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Traditional Name: 2-(tert-butoxycarbonylamino)adipic acid O6-benzyl ester O1-[4-(4-heptylphenyl)butanoylamino] ester Formula: C35H50N2O7 MolecularWeight: 610.7807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)CCCC(=O)NOC(=O)C(CCCC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)CCCC(=O)NOC(=O)C(CCCC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C35H50N2O7/c1-5-6-7-8-10-15-27-22-24-28(25-23-27)18-13-20-31(38)37-44-33(40)30(36-34(41)43-35(2,3)4)19-14-21-32(39)42-26-29-16-11-9-12-17-29/h9,11-12,16-17,22-25,30H,5-8,10,13-15,18-21,26H2,1-4H3,(H,36,41)(H,37,38)