5-[2-(hexadecanoylamino)-5-[(3-oxidanyl-3-oxidanylidene-2-phenoxy-propanoyl)amino]phenoxy]pentanoic acid

Systemtic Name: 5-[2-(hexadecanoylamino)-5-[(3-oxidanyl-3-oxidanylidene-2-phenoxy-propanoyl)amino]phenoxy]pentanoic acid Openeye Name: 5-[2-(hexadecanoylamino)-5-[(3-hydroxy-3-oxo-2-phenoxy-propanoyl)amino]phenoxy]pentanoic acid CAS Name: 5-[5-[(3-hydroxy-1,3-dioxo-2-phenoxypropyl)amino]-2-(1-oxohexadecylamino)phenoxy]pentanoic acid IUPAC Name: 5-[2-(hexadecanoylamino)-5-[(3-hydroxy-3-oxo-2-phenoxypropanoyl)amino]phenoxy]pentanoic acid Traditional Name: 5-[5-[(3-hydroxy-3-keto-2-phenoxy-propanoyl)amino]-2-palmitamido-phenoxy]valeric acid Formula: C36H52N2O8 MolecularWeight: 640.80668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C(C(=O)O)OC2=CC=CC=C2)OCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C(C(=O)O)OC2=CC=CC=C2)OCCCCC(=O)O

InChI

InChI=1S/C36H52N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-32(39)38-30-25-24-28(27-31(30)45-26-19-18-23-33(40)41)37-35(42)34(36(43)44)46-29-20-15-14-16-21-29/h14-16,20-21,24-25,27,34H,2-13,17-19,22-23,26H2,1H3,(H,37,42)(H,38,39)(H,40,41)(H,43,44)