(R)-3-[8-(2,3-difluoro-benzyloxy)-octanoylamino]-4-dimethylamino-butyric acid benzyl ester

HCID 66874232
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Basic information

Standard SMILES
CN(C)C[C@@H](CC(=O)OCc1ccccc1)NC(=O)CCCCCCCOCc1cccc(F)c1F
InChIKey
BKBPJVJQQUXPFQ-XMMPIXPASA-N
Molecular formula
C28H38F2N2O4
Average molar mass
504.6 g/mol
Monoisotopic mass
504.27996402

Names & identifiers

Preferred name
(R)-3-[8-(2,3-difluoro-benzyloxy)-octanoylamino]-4-dimethylamino-butyric acid benzyl ester
IUPAC
benzyl (3R)-3-[8-[(2,3-difluorophenyl)methoxy]octanoylamino]-4-(dimethylamino)butanoate

Names & synonyms

SCHEMBL1005867BKBPJVJQQUXPFQ-XMMPIXPASA-N(R)-3-[8-(2,3-difluoro-benzyloxy)-octanoylamino]-4-dimethylamino-butyric acid benzyl ester

Database identifiers

PubChem CID
66874232

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
67.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
18
Heavy atoms
36

Related reactions

3 records
New reaction record

Compound notes

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(R)-3-[8-(2,3-difluoro-benzyloxy)-octanoylamino]-4-dimethylamino-butyric acid benzyl ester (HCID 66874232)｜Huagongshe