(4S)-4-acetamido-5-(3-dodecanoyloxy-2-oxidanyl-propoxy)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-acetamido-5-(3-dodecanoyloxy-2-oxidanyl-propoxy)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-acetamido-5-(3-dodecanoyloxy-2-hydroxy-propoxy)-5-oxo-pentanoic acid CAS Name: (4S)-4-acetamido-5-[2-hydroxy-3-(1-oxododecoxy)propoxy]-5-oxopentanoic acid IUPAC Name: (4S)-4-acetamido-5-(3-dodecanoyloxy-2-hydroxypropoxy)-5-oxopentanoic acid Traditional Name: (4S)-4-acetamido-5-(2-hydroxy-3-lauroyloxy-propoxy)-5-keto-valeric acid Formula: C22H39NO8 MolecularWeight: 445.54696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(COC(=O)C(CCC(=O)O)NC(=O)C)O

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(COC(=O)[C@H](CCC(=O)O)NC(=O)C)O

InChI

InChI=1S/C22H39NO8/c1-3-4-5-6-7-8-9-10-11-12-21(28)30-15-18(25)16-31-22(29)19(23-17(2)24)13-14-20(26)27/h18-19,25H,3-16H2,1-2H3,(H,23,24)(H,26,27)/t18?,19-/m0/s1