(2R,4R)-4-[(1-Butyryloxymethoxy-1H-[1,2,3]triazole-4-carbonyl)amino]-5-(5'-chloro-2'-fluorobiphenyl-4-yl)-2-hydroxypentanoic Acid

HCID 86705159
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Basic information

Standard SMILES
CCCC(=O)OCOn1cc(C(=O)N[C@H](Cc2ccc(-c3cc(Cl)ccc3F)cc2)C[C@@H](O)C(=O)O)nn1
InChIKey
UGBRSPODIYNNMT-XMSQKQJNSA-N
Molecular formula
C25H26ClFN4O7
Average molar mass
548.9 g/mol

Names & identifiers

Preferred name
(2R,4R)-4-[(1-Butyryloxymethoxy-1H-[1,2,3]triazole-4-carbonyl)amino]-5-(5'-chloro-2'-fluorobiphenyl-4-yl)-2-hydroxypentanoic Acid
IUPAC
(2R,4R)-4-[[1-(butanoyloxymethoxy)triazole-4-carbonyl]amino]-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-hydroxypentanoic acid

Names & synonyms

SCHEMBL17011208UGBRSPODIYNNMT-XMSQKQJNSA-N(2R,4R)-4-[(1-Butyryloxymethoxy-1H-[1,2,3]triazole-4-carbonyl)amino]-5-(5'-chloro-2'-fluorobiphenyl-4-yl)-2-hydroxypentanoic Acid

Database identifiers

PubChem CID
86705159

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
153 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
14
Heavy atoms
38

Related reactions

1 records
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Compound notes

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