(3S)-3-acetamido-4-[1,3-di(dodecanoyloxy)propan-2-yloxy]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-acetamido-4-[1,3-di(dodecanoyloxy)propan-2-yloxy]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-acetamido-4-[2-dodecanoyloxy-1-(dodecanoyloxymethyl)ethoxy]-4-oxo-butanoic acid CAS Name: (3S)-3-acetamido-4-[1,3-bis(1-oxododecoxy)propan-2-yloxy]-4-oxobutanoic acid IUPAC Name: (3S)-3-acetamido-4-[1,3-di(dodecanoyloxy)propan-2-yloxy]-4-oxobutanoic acid Traditional Name: (3S)-3-acetamido-4-keto-4-[2-lauroyloxy-1-(lauroyloxymethyl)ethoxy]butyric acid Formula: C33H59NO9 MolecularWeight: 613.82286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)C(CC(=O)O)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C33H59NO9/c1-4-6-8-10-12-14-16-18-20-22-31(38)41-25-28(43-33(40)29(24-30(36)37)34-27(3)35)26-42-32(39)23-21-19-17-15-13-11-9-7-5-2/h28-29H,4-26H2,1-3H3,(H,34,35)(H,36,37)/t29-/m0/s1