3-[2-[(5-methylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-6-phenylmethoxy-hexanoyl]oxyhexadecanoic acid

Systemtic Name: 3-[2-[(5-methylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-6-phenylmethoxy-hexanoyl]oxyhexadecanoic acid Openeye Name: 3-[6-benzyloxy-2-[(5-methyl-2-pyridyl)carbamoylamino]-6-oxo-hexanoyl]oxyhexadecanoic acid CAS Name: 3-[2-[[[(5-methyl-2-pyridinyl)amino]-oxomethyl]amino]-1,6-dioxo-6-phenylmethoxyhexoxy]hexadecanoic acid IUPAC Name: 3-[2-[(5-methylpyridin-2-yl)carbamoylamino]-6-oxo-6-phenylmethoxyhexanoyl]oxyhexadecanoic acid Traditional Name: 3-[6-benzoxy-6-keto-2-[(5-methyl-2-pyridyl)carbamoylamino]hexanoyl]oxypalmitic acid Formula: C36H53N3O7 MolecularWeight: 639.82192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)O)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)NC2=NC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)O)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)NC2=NC=C(C=C2)C

InChI

InChI=1S/C36H53N3O7/c1-3-4-5-6-7-8-9-10-11-12-16-20-30(25-33(40)41)46-35(43)31(38-36(44)39-32-24-23-28(2)26-37-32)21-17-22-34(42)45-27-29-18-14-13-15-19-29/h13-15,18-19,23-24,26,30-31H,3-12,16-17,20-22,25,27H2,1-2H3,(H,40,41)(H2,37,38,39,44)