(phenylmethyl) 5-[(5-methylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate

Systemtic Name: (phenylmethyl) 5-[(5-methylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate Openeye Name: benzyl 5-[(5-methyl-2-pyridyl)carbamoylamino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-5-[[[(5-methyl-2-pyridinyl)amino]-oxomethyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(5-methylpyridin-2-yl)carbamoylamino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-[(5-methyl-2-pyridyl)carbamoylamino]hexanoic acid benzyl ester Formula: C36H52N4O6 MolecularWeight: 636.82128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC(=O)NC(CCCC(=O)OCC2=CC=CC=C2)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

CC1=CN=C(C=C1)NC(=O)NC(CCCC(=O)OCC2=CC=CC=C2)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C36H52N4O6/c1-29-24-25-32(37-27-29)39-36(45)38-31(21-18-23-34(43)46-28-30-19-14-13-15-20-30)35(44)40-33(42)22-16-11-9-7-5-3-2-4-6-8-10-12-17-26-41/h13-15,19-20,24-27,31H,2-12,16-18,21-23,28H2,1H3,(H,40,42,44)(H2,37,38,39,45)