[2-[[1-[(E)-hexadec-6-enyl]cyclobutyl]carbamoylamino]cycloheptyl] 3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoate

Systemtic Name: [2-[[1-[(E)-hexadec-6-enyl]cyclobutyl]carbamoylamino]cycloheptyl] 3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanoate Openeye Name: [2-[[1-[(E)-hexadec-6-enyl]cyclobutyl]carbamoylamino]cycloheptyl] 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoate CAS Name: 3-[[oxo-(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methyl]amino]propanoic acid [2-[[[[1-[(E)-hexadec-6-enyl]cyclobutyl]amino]-oxomethyl]amino]cycloheptyl] ester IUPAC Name: [2-[[1-[(E)-hexadec-6-enyl]cyclobutyl]carbamoylamino]cycloheptyl] 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoate Traditional Name: 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propionic acid [2-[[1-[(E)-hexadec-6-enyl]cyclobutyl]carbamoylamino]cycloheptyl] ester Formula: C40H71N3O6 MolecularWeight: 690.00824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CCCCCCC1(CCC1)NC(=O)NC2CCCCCC2OC(=O)CCNC(=O)C3C(COC(O3)(C)C)(C)C

Isomeric SMILES

CCCCCCCCC/C=C/CCCCCC1(CCC1)NC(=O)NC2CCCCCC2OC(=O)CCNC(=O)C3C(COC(O3)(C)C)(C)C

InChI

InChI=1S/C40H71N3O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-40(28-23-29-40)43-37(46)42-32-24-20-19-21-25-33(32)48-34(44)26-30-41-36(45)35-38(2,3)31-47-39(4,5)49-35/h14-15,32-33,35H,6-13,16-31H2,1-5H3,(H,41,45)(H2,42,43,46)/b15-14+