(E)-7-[(3-hexylimidazol-4-yl)-oxidanyl-methyl]-8-oxidanylidene-8-(2-oxidanylidene-4-propan-2-yl-1,3-oxazinan-3-yl)oct-4-enoic acid

Systemtic Name: (E)-7-[(3-hexylimidazol-4-yl)-oxidanyl-methyl]-8-oxidanylidene-8-(2-oxidanylidene-4-propan-2-yl-1,3-oxazinan-3-yl)oct-4-enoic acid Openeye Name: (E)-7-[(3-hexylimidazol-4-yl)-hydroxy-methyl]-8-(4-isopropyl-2-oxo-1,3-oxazinan-3-yl)-8-oxo-oct-4-enoic acid CAS Name: (E)-7-[(3-hexyl-4-imidazolyl)-hydroxymethyl]-8-oxo-8-(2-oxo-4-propan-2-yl-1,3-oxazinan-3-yl)-4-octenoic acid IUPAC Name: (E)-7-[(3-hexylimidazol-4-yl)-hydroxymethyl]-8-oxo-8-(2-oxo-4-propan-2-yl-1,3-oxazinan-3-yl)oct-4-enoic acid Traditional Name: (E)-7-[(3-hexylimidazol-4-yl)-hydroxy-methyl]-8-(4-isopropyl-2-keto-1,3-oxazinan-3-yl)-8-keto-oct-4-enoic acid Formula: C25H39N3O6 MolecularWeight: 477.59366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=NC=C1C(C(CC=CCCC(=O)O)C(=O)N2C(CCOC2=O)C(C)C)O

Isomeric SMILES

CCCCCCN1C=NC=C1C(C(C/C=C/CCC(=O)O)C(=O)N2C(CCOC2=O)C(C)C)O

InChI

InChI=1S/C25H39N3O6/c1-4-5-6-10-14-27-17-26-16-21(27)23(31)19(11-8-7-9-12-22(29)30)24(32)28-20(18(2)3)13-15-34-25(28)33/h7-8,16-20,23,31H,4-6,9-15H2,1-3H3,(H,29,30)/b8-7+