O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-[[methyl(pyridin-2-yl)carbamoyl]amino]hexanedioate

Systemtic Name: O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-[[methyl(pyridin-2-yl)carbamoyl]amino]hexanedioate Openeye Name: O6-benzyl O1-(16-oxohexadecanoyl) 2-[[methyl(2-pyridyl)carbamoyl]amino]hexanedioate CAS Name: 2-[[[methyl(2-pyridinyl)amino]-oxomethyl]amino]hexanedioic acid O1-(1,16-dioxohexadecyl) ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-(16-oxohexadecanoyl) 2-[[methyl(pyridin-2-yl)carbamoyl]amino]hexanedioate Traditional Name: 2-[[methyl(2-pyridyl)carbamoyl]amino]adipic acid O6-benzyl ester O1-(16-ketohexadecanoyl) ester Formula: C36H51N3O7 MolecularWeight: 637.80604

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=N1)C(=O)NC(CCCC(=O)OCC2=CC=CC=C2)C(=O)OC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

CN(C1=CC=CC=N1)C(=O)NC(CCCC(=O)OCC2=CC=CC=C2)C(=O)OC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C36H51N3O7/c1-39(32-24-17-18-27-37-32)36(44)38-31(23-20-26-33(41)45-29-30-21-14-13-15-22-30)35(43)46-34(42)25-16-11-9-7-5-3-2-4-6-8-10-12-19-28-40/h13-15,17-18,21-22,24,27-28,31H,2-12,16,19-20,23,25-26,29H2,1H3,(H,38,44)