Basic information
- Standard SMILES
COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2cccnc2)cc1-c1ccccc1- InChIKey
WQUJKTCDCOOTMB-QHCPKHFHSA-N- Molecular formula
- C25H27N3O3S
- Average molar mass
- 449.6 g/mol
- Monoisotopic mass
- 449.17731291
Names & identifiers
- Preferred name
- [4(3-Pyridylmethylamino)-2-phenylbenzoyl]methionine methyl ester
- IUPAC
- methyl (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylmethylamino)benzoyl]amino]butanoate
Names & synonyms
SCHEMBL6772096WQUJKTCDCOOTMB-QHCPKHFHSA-N[4(3-pyridylmethylamino)-2-phenylbenzoyl]methionine methyl ester[4-(3-pyridylmethylamino)-2-phenylbenzoyl]methionine methyl ester[4-(3-pyridylrnethylamino)-2-phenylbenzoyl]methionine methyl ester
Database identifiers
- PubChem CID
- 10694816
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 585
Related reactions
3 records
Compound notes
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