N-(12-Methoxy-1-oxododecyl)-L-isoleucine, Ethyl ester

HCID 9929366
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Basic information

Standard SMILES
CCOC(=O)[C@@H](NC(=O)CCCCCCCCCCCOC)[C@@H](C)CC
InChIKey
PHISXXGEGQVOIY-ICSRJNTNSA-N
Molecular formula
C21H41NO4
Average molar mass
371.6 g/mol

Names & identifiers

Preferred name
N-(12-Methoxy-1-oxododecyl)-L-isoleucine, Ethyl ester
IUPAC
ethyl (2S,3S)-2-(12-methoxydodecanoylamino)-3-methylpentanoate

Names & synonyms

PHISXXGEGQVOIY-ICSRJNTNSA-NN-(12-Methoxy-1-oxododecyl)-L-isoleucine, Ethyl ester

Database identifiers

PubChem CID
9929366

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
18
Heavy atoms
26

Related reactions

3 records
New reaction record

Compound notes

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