4-(hexadecanoylamino)-5-oxidanylidene-5-phenylmethoxy-pentanoic acid

Systemtic Name: 4-(hexadecanoylamino)-5-oxidanylidene-5-phenylmethoxy-pentanoic acid Openeye Name: 5-benzyloxy-4-(hexadecanoylamino)-5-oxo-pentanoic acid CAS Name: 5-oxo-4-(1-oxohexadecylamino)-5-phenylmethoxypentanoic acid IUPAC Name: 4-(hexadecanoylamino)-5-oxo-5-phenylmethoxypentanoic acid Traditional Name: 5-benzoxy-5-keto-4-palmitamido-valeric acid Formula: C28H45NO5 MolecularWeight: 485.62331

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[14CH]([14CH2][14CH2][14C](=O)O)[14C](=O)OCC1=CC=CC=C1

InChI

InChI=1S/C28H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-26(30)29-25(21-22-27(31)32)28(33)34-23-24-18-15-14-16-19-24/h14-16,18-19,25H,2-13,17,20-23H2,1H3,(H,29,30)(H,31,32)/i21+2,22+2,25+2,27+2,28+2