(phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(phenoxycarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(phenoxycarbonylamino)hexanoate Openeye Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(phenoxycarbonylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[oxo(phenoxy)methyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(phenoxycarbonylamino)hexanoate Traditional Name: 5-(carbophenoxyamino)-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid benzyl ester Formula: C36H50N2O7 MolecularWeight: 622.7914

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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)OC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C36H50N2O7/c39-28-19-11-9-7-5-3-1-2-4-6-8-10-18-26-33(40)38-35(42)32(37-36(43)45-31-23-16-13-17-24-31)25-20-27-34(41)44-29-30-21-14-12-15-22-30/h12-17,21-24,28,32H,1-11,18-20,25-27,29H2,(H,37,43)(H,38,40,42)