(phenylmethyl) 6-(2-hexadecanoyl-2-phenethyl-hydrazinyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) 6-(2-hexadecanoyl-2-phenethyl-hydrazinyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexanoate Openeye Name: benzyl 5-(tert-butoxycarbonylamino)-6-(2-hexadecanoyl-2-phenethyl-hydrazino)-6-oxo-hexanoate CAS Name: 5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxo-6-[2-(1-oxohexadecyl)-2-phenethylhydrazinyl]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(2-hexadecanoyl-2-phenethylhydrazinyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoate Traditional Name: 5-(tert-butoxycarbonylamino)-6-(N'-hexadecanoyl-N'-phenethyl-hydrazino)-6-keto-hexanoic acid benzyl ester Formula: C42H65N3O6 MolecularWeight: 707.982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N(CCC1=CC=CC=C1)NC(=O)C(CCCC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N(CCC1=CC=CC=C1)NC(=O)C(CCCC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C42H65N3O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-30-38(46)45(33-32-35-25-19-17-20-26-35)44-40(48)37(43-41(49)51-42(2,3)4)29-24-31-39(47)50-34-36-27-21-18-22-28-36/h17-22,25-28,37H,5-16,23-24,29-34H2,1-4H3,(H,43,49)(H,44,48)