(phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-[(2-phenylphenyl)carbonylamino]hexanoate

Systemtic Name: (phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-[(2-phenylphenyl)carbonylamino]hexanoate Openeye Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-[(2-phenylbenzoyl)amino]hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[oxo-(2-phenylphenyl)methyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-[(2-phenylbenzoyl)amino]hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-[(2-phenylbenzoyl)amino]hexanoic acid benzyl ester Formula: C42H54N2O6 MolecularWeight: 682.88796

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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=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)C2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C42H54N2O6/c45-32-21-11-9-7-5-3-1-2-4-6-8-10-18-30-39(46)44-42(49)38(29-22-31-40(47)50-33-34-23-14-12-15-24-34)43-41(48)37-28-20-19-27-36(37)35-25-16-13-17-26-35/h12-17,19-20,23-28,32,38H,1-11,18,21-22,29-31,33H2,(H,43,48)(H,44,46,49)