(6E,12E)-5-acetyloxy-2-azanyl-3,4,14-tris(oxidanyl)icosa-6,12-dienoic acid

Systemtic Name: (6E,12E)-5-acetyloxy-2-azanyl-3,4,14-tris(oxidanyl)icosa-6,12-dienoic acid Openeye Name: (6E,12E)-5-acetoxy-2-amino-3,4,14-trihydroxy-icosa-6,12-dienoic acid CAS Name: (6E,12E)-5-acetyloxy-2-amino-3,4,14-trihydroxyeicosa-6,12-dienoic acid IUPAC Name: (6E,12E)-5-acetyloxy-2-amino-3,4,14-trihydroxyicosa-6,12-dienoic acid Traditional Name: (6E,12E)-5-acetoxy-2-amino-3,4,14-trihydroxy-eicosa-6,12-dienoic acid Formula: C22H39NO7 MolecularWeight: 429.54756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C=CCCCCC=CC(C(C(C(C(=O)O)N)O)O)OC(=O)C)O

Isomeric SMILES

CCCCCCC(/C=C/CCCC/C=C/C(C(C(C(C(=O)O)N)O)O)OC(=O)C)O

InChI

InChI=1S/C22H39NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(30-16(2)24)20(26)21(27)19(23)22(28)29/h11-12,14-15,17-21,25-27H,3-10,13,23H2,1-2H3,(H,28,29)/b14-11+,15-12+