N-[N-[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]-beta-alanyl]-L-threonine

HCID 54090949
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Basic information

Standard SMILES
CC(C)CCCCCCCCCCCC(=O)OC(CCCCCCCCCCCC(C)C)CC(=O)NCCC(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIKey
MTUNZZRNQUOURG-XVSCIFINSA-N
Molecular formula
C39H74N2O7
Average molar mass
683 g/mol
Monoisotopic mass
682.5496027

Names & identifiers

Preferred name
N-[N-[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]-beta-alanyl]-L-threonine
IUPAC
(2S,3R)-3-hydroxy-2-[3-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoylamino]butanoic acid

Names & synonyms

SCHEMBL11105335MTUNZZRNQUOURG-XVSCIFINSA-NN-[N-[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]-beta-alanyl]-L-threonine

Database identifiers

PubChem CID
54090949

Properties

Computed structural properties

XLogP
11.5
Topological polar surface area
142 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
34
Heavy atoms
48

Related reactions

1 records
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Compound notes

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