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

Systemtic Name: 2-[1-[aminocarbonyl-[(E)-octadec-9-en-2-yl]amino]cyclohexyl]-4-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]butanoate Openeye Name: 2-[1-[carbamoyl-[(E)-1-methylheptadec-8-enyl]amino]cyclohexyl]-4-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]butanoate CAS Name: 2-[1-[carbamoyl-[(E)-octadec-9-en-2-yl]amino]cyclohexyl]-4-[[oxo-(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methyl]amino]butanoate IUPAC Name: 2-[1-[carbamoyl-[(E)-octadec-9-en-2-yl]amino]cyclohexyl]-4-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]butanoate Traditional Name: 2-[1-[carbamoyl-[(E)-1-methylheptadec-8-enyl]amino]cyclohexyl]-4-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]butyrate Formula: C38H68N3O6- MolecularWeight: 662.96302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C38H69N3O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-30(2)41(35(39)45)38(26-22-20-23-27-38)31(34(43)44)25-28-40-33(42)32-36(3,4)29-46-37(5,6)47-32/h14-15,30-32H,7-13,16-29H2,1-6H3,(H2,39,45)(H,40,42)(H,43,44)/p-1/b15-14+