(phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(pyrazin-2-ylcarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(pyrazin-2-ylcarbonylamino)hexanoate Openeye Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(pyrazine-2-carbonylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[oxo(2-pyrazinyl)methyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(pyrazine-2-carbonylamino)hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(pyrazinoylamino)hexanoic acid benzyl ester Formula: C34H48N4O6 MolecularWeight: 608.76812

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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)C2=NC=CN=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)C2=NC=CN=C2

InChI

InChI=1S/C34H48N4O6/c39-25-16-11-9-7-5-3-1-2-4-6-8-10-15-21-31(40)38-33(42)29(37-34(43)30-26-35-23-24-36-30)20-17-22-32(41)44-27-28-18-13-12-14-19-28/h12-14,18-19,23-26,29H,1-11,15-17,20-22,27H2,(H,37,43)(H,38,40,42)