2-[1-[aminocarbonyl-[(E)-octadec-9-en-2-yl]amino]cyclohexyl]-5-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]pentanoate

Systemtic Name: 2-[1-[aminocarbonyl-[(E)-octadec-9-en-2-yl]amino]cyclohexyl]-5-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]pentanoate Openeye Name: 2-[1-[carbamoyl-[(E)-1-methylheptadec-8-enyl]amino]cyclohexyl]-5-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]pentanoate CAS Name: 2-[1-[carbamoyl-[(E)-octadec-9-en-2-yl]amino]cyclohexyl]-5-[[oxo-(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methyl]amino]pentanoate IUPAC Name: 2-[1-[carbamoyl-[(E)-octadec-9-en-2-yl]amino]cyclohexyl]-5-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]pentanoate Traditional Name: 2-[1-[carbamoyl-[(E)-1-methylheptadec-8-enyl]amino]cyclohexyl]-5-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]valerate Formula: C39H70N3O6- MolecularWeight: 676.9896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(C)N(C(=O)N)C1(CCCCC1)C(CCCNC(=O)C2C(COC(O2)(C)C)(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(C)N(C(=O)N)C1(CCCCC1)C(CCCNC(=O)C2C(COC(O2)(C)C)(C)C)C(=O)[O-]

InChI

InChI=1S/C39H71N3O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-31(2)42(36(40)46)39(27-22-20-23-28-39)32(35(44)45)26-24-29-41-34(43)33-37(3,4)30-47-38(5,6)48-33/h14-15,31-33H,7-13,16-30H2,1-6H3,(H2,40,46)(H,41,43)(H,44,45)/p-1/b15-14+