2-[1-[aminocarbonyl-[(8E,11E)-octadeca-8,11-dienyl]amino]cyclohexyl]-3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoic acid

Systemtic Name: 2-[1-[aminocarbonyl-[(8E,11E)-octadeca-8,11-dienyl]amino]cyclohexyl]-3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoic acid Openeye Name: 2-[1-[carbamoyl-[(8E,11E)-octadeca-8,11-dienyl]amino]cyclohexyl]-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoic acid CAS Name: 2-[1-[carbamoyl-[(8E,11E)-octadeca-8,11-dienyl]amino]cyclohexyl]-3-[[oxo-(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methyl]amino]propanoic acid IUPAC Name: 2-[1-[carbamoyl-[(8E,11E)-octadeca-8,11-dienyl]amino]cyclohexyl]-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoic acid Traditional Name: 2-[1-[carbamoyl-[(8E,11E)-octadeca-8,11-dienyl]amino]cyclohexyl]-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propionic acid Formula: C37H65N3O6 MolecularWeight: 647.9285

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCC=CCCCCCCCN(C(=O)N)C1(CCCCC1)C(CNC(=O)C2C(COC(O2)(C)C)(C)C)C(=O)O

Isomeric SMILES

CCCCCC/C=C/C/C=C/CCCCCCCN(C(=O)N)C1(CCCCC1)C(CNC(=O)C2C(COC(O2)(C)C)(C)C)C(=O)O

InChI

InChI=1S/C37H65N3O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-40(34(38)44)37(25-22-21-23-26-37)30(33(42)43)28-39-32(41)31-35(2,3)29-45-36(4,5)46-31/h11-12,14-15,30-31H,6-10,13,16-29H2,1-5H3,(H2,38,44)(H,39,41)(H,42,43)/b12-11+,15-14+