(phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(2-pyridin-2-ylethanoylamino)hexanoate

Systemtic Name: (phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(2-pyridin-2-ylethanoylamino)hexanoate Openeye Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-[[2-(2-pyridyl)acetyl]amino]hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-[(2-pyridin-2-ylacetyl)amino]hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-[[2-(2-pyridyl)acetyl]amino]hexanoic acid benzyl ester Formula: C36H51N3O6 MolecularWeight: 621.80664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)CC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)CC2=CC=CC=N2

InChI

InChI=1S/C36H51N3O6/c40-27-18-11-9-7-5-3-1-2-4-6-8-10-15-24-33(41)39-36(44)32(38-34(42)28-31-22-16-17-26-37-31)23-19-25-35(43)45-29-30-20-13-12-14-21-30/h12-14,16-17,20-22,26-27,32H,1-11,15,18-19,23-25,28-29H2,(H,38,42)(H,39,41,44)