5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid [1-(S)-benzyl-3-(3,4-dihydroxypyrrolidin-1-yl)-2-(S)-hydroxy-3-oxopropyl]amide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CC(O)C(O)C1)c1cc2cc(Cl)ncc2[nH]1- InChIKey
BZGULMPKJRUGDV-VLNXYBQZSA-N- Molecular formula
- C22H23ClN4O5
- Average molar mass
- 458.9 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid [1-(S)-benzyl-3-(3,4-dihydroxypyrrolidin-1-yl)-2-(S)-hydroxy-3-oxopropyl]amide
- IUPAC
- 5-chloro-N-[(2S,3S)-4-(3,4-dihydroxypyrrolidin-1-yl)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Names & synonyms
SCHEMBL2108987BZGULMPKJRUGDV-VLNXYBQZSA-N5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid [1-(S)-benzyl-3-(3,4-dihydroxypyrrolidin-1-yl)-2-(S)-hydroxy-3-oxopropyl]amide
Database identifiers
- PubChem CID
- 86601767
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 669
Related reactions
2 records
Compound notes
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