(2R,4R)-5-(5'-Chloro-2'-fluorobiphenyl-4-yl)-2-hydroxy-4-{[1-((S)-2-methoxycarbonylamino-3-methylbutyryloxymethoxy)-1H-[1,2,3]triazole-4-carbonyl]amino}pentanoic Acid

HCID 86705161
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Basic information

Standard SMILES
COC(=O)N[C@H](C(=O)OCOn1cc(C(=O)N[C@H](Cc2ccc(-c3cc(Cl)ccc3F)cc2)C[C@@H](O)C(=O)O)nn1)C(C)C
InChIKey
UFCSFJGTSWGSMU-FOVJLYNBSA-N
Molecular formula
C28H31ClFN5O9
Average molar mass
636 g/mol
Monoisotopic mass
635.1794334

Names & identifiers

Preferred name
(2R,4R)-5-(5'-Chloro-2'-fluorobiphenyl-4-yl)-2-hydroxy-4-{[1-((S)-2-methoxycarbonylamino-3-methylbutyryloxymethoxy)-1H-[1,2,3]triazole-4-carbonyl]amino}pentanoic Acid
IUPAC
(2R,4R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-hydroxy-4-[[1-[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]oxymethoxy]triazole-4-carbonyl]amino]pentanoic acid

Names & synonyms

SCHEMBL17011211UFCSFJGTSWGSMU-FOVJLYNBSA-N(2R,4R)-5-(5'-Chloro-2'-fluorobiphenyl-4-yl)-2-hydroxy-4-{[1-((S)-2-methoxycarbonylamino-3-methylbutyryloxymethoxy)-1H-[1,2,3]triazole-4-carbonyl]amino}pentanoic Acid

Database identifiers

PubChem CID
86705161

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
191 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
12
Rotatable bonds
16
Heavy atoms
44

Related reactions

1 records
New reaction record

Compound notes

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