3-(S)-[(5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-(S)-hydroxy-4-phenylbutyric acid methyl ester
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1- InChIKey
QETINOUFQQWMBP-GUYCJALGSA-N- Molecular formula
- C19H18ClN3O4
- Average molar mass
- 387.8 g/mol
Names & identifiers
- Preferred name
- 3-(S)-[(5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-(S)-hydroxy-4-phenylbutyric acid methyl ester
- IUPAC
- methyl (2S,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate
Names & synonyms
SCHEMBL2105958QETINOUFQQWMBP-GUYCJALGSA-N3-(S)-[(5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-(S)-hydroxy-4-phenylbutyric acid methyl ester
Database identifiers
- PubChem CID
- 11246212
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 529
Related reactions
4 records
Compound notes
Loading…