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

Systemtic Name: (3S)-3-acetamido-4-(3-dodecanoyloxy-2-oxidanyl-propoxy)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-acetamido-4-(3-dodecanoyloxy-2-hydroxy-propoxy)-4-oxo-butanoic acid CAS Name: (3S)-3-acetamido-4-[2-hydroxy-3-(1-oxododecoxy)propoxy]-4-oxobutanoic acid IUPAC Name: (3S)-3-acetamido-4-(3-dodecanoyloxy-2-hydroxypropoxy)-4-oxobutanoic acid Traditional Name: (3S)-3-acetamido-4-(2-hydroxy-3-lauroyloxy-propoxy)-4-keto-butyric acid Formula: C21H37NO8 MolecularWeight: 431.52038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37NO8/c1-3-4-5-6-7-8-9-10-11-12-20(27)29-14-17(24)15-30-21(28)18(13-19(25)26)22-16(2)23/h17-18,24H,3-15H2,1-2H3,(H,22,23)(H,25,26)/t17?,18-/m0/s1