3-[2-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxidanylidene-6-phenylmethoxy-hexanoyl]oxyhexadecanoic acid

Systemtic Name: 3-[2-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxidanylidene-6-phenylmethoxy-hexanoyl]oxyhexadecanoic acid Openeye Name: 3-[6-benzyloxy-2-[[methyl(2-pyridyl)carbamoyl]amino]-6-oxo-hexanoyl]oxyhexadecanoic acid CAS Name: 3-[2-[[[methyl(2-pyridinyl)amino]-oxomethyl]amino]-1,6-dioxo-6-phenylmethoxyhexoxy]hexadecanoic acid IUPAC Name: 3-[2-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxo-6-phenylmethoxyhexanoyl]oxyhexadecanoic acid Traditional Name: 3-[6-benzoxy-6-keto-2-[[methyl(2-pyridyl)carbamoyl]amino]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)N(C)C2=CC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)O)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)N(C)C2=CC=CC=N2

InChI

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