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3-methylbutyl 6-(dodecanoylamino)-2-(octanoylamino)hexanoate

3-methylbutyl 6-(dodecanoylamino)-2-(octanoylamino)hexanoate

Systemtic Name:3-methylbutyl 6-(dodecanoylamino)-2-(octanoylamino)hexanoate
Openeye Name:isopentyl 6-(dodecanoylamino)-2-(octanoylamino)hexanoate
CAS Name:6-(1-oxododecylamino)-2-(1-oxooctylamino)hexanoic acid 3-methylbutyl ester
IUPAC Name:3-methylbutyl 6-(dodecanoylamino)-2-(octanoylamino)hexanoate
Traditional Name:2-(caprylylamino)-6-(lauroylamino)hexanoic acid isoamyl ester
Formula: C31H60N2O4
MolecularWeight: 524.8191
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCCCC(C(=O)OCCC(C)C)NC(=O)CCCCCCC


Isomeric SMILES

CCCCCCCCCCCC(=O)NCCCCC(C(=O)OCCC(C)C)NC(=O)CCCCCCC


InChI

InChI=1S/C31H60N2O4/c1-5-7-9-11-12-13-14-16-17-22-29(34)32-25-20-19-21-28(31(36)37-26-24-27(3)4)33-30(35)23-18-15-10-8-6-2/h27-28H,5-26H2,1-4H3,(H,32,34)(H,33,35)


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