(S)-2-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-3-phenyl-propionic acid

HCID 68444584

Basic information

Standard SMILES
Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cn1
InChIKey
PGCHIYFRNQWREH-QFIPXVFZSA-N
Molecular formula
C26H23N3O5
Average molar mass
457.5 g/mol

Names & identifiers

Preferred name
(S)-2-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-3-phenyl-propionic acid
IUPAC
(2S)-2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid

Names & synonyms

SCHEMBL2929039CHEMBL3681528PGCHIYFRNQWREH-QFIPXVFZSA-NBDBM133539US8846719, 231(S)-2-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-3-phenyl-propionic acid

Database identifiers

PubChem CID
68444584
ChEMBL
CHEMBL3681528

Properties

Computed structural properties

XLogP
4
Topological polar surface area
115 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
34

Related reactions

5 records

Compound notes

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