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

Systemtic Name: (phenylmethyl) 5-azanyl-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate Openeye Name: benzyl 5-amino-6-oxo-6-(16-oxohexadecanoylamino)hexanoate CAS Name: 5-amino-6-(1,16-dioxohexadecylamino)-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-amino-6-oxo-6-(16-oxohexadecanoylamino)hexanoate Traditional Name: 5-amino-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid benzyl ester Formula: C29H46N2O5 MolecularWeight: 502.68594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)N

InChI

InChI=1S/C29H46N2O5/c30-26(20-17-22-28(34)36-24-25-18-13-12-14-19-25)29(35)31-27(33)21-15-10-8-6-4-2-1-3-5-7-9-11-16-23-32/h12-14,18-19,23,26H,1-11,15-17,20-22,24,30H2,(H,31,33,35)