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2-(2-hexadecanoyloxyhexadecanoylamino)-3-methyl-butanoic acid

2-(2-hexadecanoyloxyhexadecanoylamino)-3-methyl-butanoic acid

Systemtic Name:2-(2-hexadecanoyloxyhexadecanoylamino)-3-methyl-butanoic acid
Openeye Name:2-(2-hexadecanoyloxyhexadecanoylamino)-3-methyl-butanoic acid
CAS Name:3-methyl-2-[[1-oxo-2-(1-oxohexadecoxy)hexadecyl]amino]butanoic acid
IUPAC Name:2-(2-hexadecanoyloxyhexadecanoylamino)-3-methylbutanoic acid
Traditional Name:2-(2-hexadecanoyloxyhexadecanoylamino)-3-methyl-butyric acid
Formula: C37H71NO5
MolecularWeight: 609.96334
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCC)C(=O)NC(C(C)C)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCC)C(=O)NC(C(C)C)C(=O)O


InChI

InChI=1S/C37H71NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(39)43-33(36(40)38-35(32(3)4)37(41)42)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h32-33,35H,5-31H2,1-4H3,(H,38,40)(H,41,42)


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