2-[1-[[(E)-2,2-dimethyloctadec-9-enoyl]amino]cyclohexyl]-3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoic acid

Systemtic Name: 2-[1-[[(E)-2,2-dimethyloctadec-9-enoyl]amino]cyclohexyl]-3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoic acid Openeye Name: 2-[1-[[(E)-2,2-dimethyloctadec-9-enoyl]amino]cyclohexyl]-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoic acid CAS Name: 2-[1-[[(E)-2,2-dimethyl-1-oxooctadec-9-enyl]amino]cyclohexyl]-3-[[oxo-(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methyl]amino]propanoic acid IUPAC Name: 2-[1-[[(E)-2,2-dimethyloctadec-9-enoyl]amino]cyclohexyl]-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoic acid Traditional Name: 2-[1-[[(E)-2,2-dimethyloctadec-9-enoyl]amino]cyclohexyl]-3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propionic acid Formula: C38H68N2O6 MolecularWeight: 648.95632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(C)(C)C(=O)NC1(CCCCC1)C(CNC(=O)C2C(COC(O2)(C)C)(C)C)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(C)(C)C(=O)NC1(CCCCC1)C(CNC(=O)C2C(COC(O2)(C)C)(C)C)C(=O)O

InChI

InChI=1S/C38H68N2O6/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-35(2,3)34(44)40-38(26-23-21-24-27-38)30(33(42)43)28-39-32(41)31-36(4,5)29-45-37(6,7)46-31/h15-16,30-31H,8-14,17-29H2,1-7H3,(H,39,41)(H,40,44)(H,42,43)/b16-15+