(phenylmethyl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-(16-oxidanylidenehexadecanoylamino)heptanoate

Systemtic Name: (phenylmethyl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-(16-oxidanylidenehexadecanoylamino)heptanoate Openeye Name: benzyl 6-(tert-butoxycarbonylamino)-7-oxo-7-(16-oxohexadecanoylamino)heptanoate CAS Name: 7-(1,16-dioxohexadecylamino)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxoheptanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-7-(16-oxohexadecanoylamino)heptanoate Traditional Name: 6-(tert-butoxycarbonylamino)-7-keto-7-(16-ketohexadecanoylamino)enanthic acid benzyl ester Formula: C35H56N2O7 MolecularWeight: 616.82834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCC(=O)OCC1=CC=CC=C1)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCC(=O)OCC1=CC=CC=C1)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C35H56N2O7/c1-35(2,3)44-34(42)36-30(24-19-20-26-32(40)43-28-29-22-16-15-17-23-29)33(41)37-31(39)25-18-13-11-9-7-5-4-6-8-10-12-14-21-27-38/h15-17,22-23,27,30H,4-14,18-21,24-26,28H2,1-3H3,(H,36,42)(H,37,39,41)