(2S)-2-(dodecanoylamino)-3-[3-(3-methoxy-4-oxidanyl-phenyl)propanoyloxy]propanoic acid

Systemtic Name: (2S)-2-(dodecanoylamino)-3-[3-(3-methoxy-4-oxidanyl-phenyl)propanoyloxy]propanoic acid Openeye Name: (2S)-2-(dodecanoylamino)-3-[3-(4-hydroxy-3-methoxy-phenyl)propanoyloxy]propanoic acid CAS Name: (2S)-3-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropoxy]-2-(1-oxododecylamino)propanoic acid IUPAC Name: (2S)-2-(dodecanoylamino)-3-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]propanoic acid Traditional Name: (2S)-3-[3-(4-hydroxy-3-methoxy-phenyl)propanoyloxy]-2-(lauroylamino)propionic acid Formula: C25H39NO7 MolecularWeight: 465.57966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(COC(=O)CCC1=CC(=C(C=C1)O)OC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](COC(=O)CCC1=CC(=C(C=C1)O)OC)C(=O)O

InChI

InChI=1S/C25H39NO7/c1-3-4-5-6-7-8-9-10-11-12-23(28)26-20(25(30)31)18-33-24(29)16-14-19-13-15-21(27)22(17-19)32-2/h13,15,17,20,27H,3-12,14,16,18H2,1-2H3,(H,26,28)(H,30,31)/t20-/m0/s1