O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-[(5-methylpyridin-2-yl)carbamoylamino]hexanedioate

Systemtic Name: O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-[(5-methylpyridin-2-yl)carbamoylamino]hexanedioate Openeye Name: O6-benzyl O1-(16-oxohexadecanoyl) 2-[(5-methyl-2-pyridyl)carbamoylamino]hexanedioate CAS Name: 2-[[[(5-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-[(5-methylpyridin-2-yl)carbamoylamino]hexanedioate Traditional Name: 2-[(5-methyl-2-pyridyl)carbamoylamino]adipic acid O6-benzyl ester O1-(16-ketohexadecanoyl) ester Formula: C36H51N3O7 MolecularWeight: 637.80604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC(=O)NC(CCCC(=O)OCC2=CC=CC=C2)C(=O)OC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

CC1=CN=C(C=C1)NC(=O)NC(CCCC(=O)OCC2=CC=CC=C2)C(=O)OC(=O)CCCCCCCCCCCCCCC=O

InChI

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