[4-(3-Pyridyloxymethyl)-2-phenylbenzoyl]methionine

HCID 10694218

Notes Reactions

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Basic information

Standard SMILES: CSCC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1)C(=O)O
InChIKey: DBYCWPJPDHXTCI-QFIPXVFZSA-N
Molecular formula: C24H24N2O4S
Average molar mass: 436.5 g/mol
Monoisotopic mass: 436.14567842

Names & identifiers

Preferred name: [4-(3-Pyridyloxymethyl)-2-phenylbenzoyl]methionine
IUPAC: (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]butanoic acid

Names & synonyms

CHEMBL336327SCHEMBL6771420DBYCWPJPDHXTCI-QFIPXVFZSA-NBDBM50067565[4-(3-pyridyloxymethyl)-2-phenylbenzoyl]methionine(S)-4-Methylsulfanyl-2-{[5-(pyridin-3-yloxymethyl)-biphenyl-2-carbonyl]-amino}-butyric acid

Database identifiers

PubChem CID: 10694218
ChEMBL: CHEMBL336327
Nikkaji: J1.027.054E

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 114 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 31
Formal charge: 0
Complexity: 570

Related reactions

1 records

New reaction record

HRID 2121217As reactantuspto-grants-2004_02

Compound notes

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