O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbonyl-amino]hexanedioate

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonyl-piperidin-4-ylcarbonyl-amino]hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-[tert-butoxycarbonyl(piperidine-4-carbonyl)amino]hexanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[oxo(4-piperidinyl)methyl]amino]hexanedioic acid O6-(1-amino-1-oxohexadecan-3-yl) ester O1-(phenylmethyl) ester IUPAC Name: 6-O-(1-amino-1-oxohexadecan-3-yl) 1-O-benzyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidine-4-carbonyl)amino]hexanedioate Traditional Name: 2-[tert-butoxycarbonyl(isonipecotoyl)amino]adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C40H65N3O8 MolecularWeight: 715.9594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)N(C(=O)C2CCNCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)N(C(=O)C2CCNCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C40H65N3O8/c1-5-6-7-8-9-10-11-12-13-14-18-22-33(29-35(41)44)50-36(45)24-19-23-34(38(47)49-30-31-20-16-15-17-21-31)43(39(48)51-40(2,3)4)37(46)32-25-27-42-28-26-32/h15-17,20-21,32-34,42H,5-14,18-19,22-30H2,1-4H3,(H2,41,44)