Basic information
- Standard SMILES
CCc1[nH]c(C(=O)N[C@H]2CCN(c3nc(C)c(C(=O)O)o3)C[C@H]2OC)nc1Cl- InChIKey
YFBRBPAEWGSEES-WDEREUQCSA-N- Molecular formula
- C17H22ClN5O5
- Average molar mass
- 411.8 g/mol
Names & identifiers
- Preferred name
- cis(+/-)-2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidin-1-yl)-4-methyl-1,3-oxazole-5-carboxylic acid
- IUPAC
- 2-[(3R,4S)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]-4-methyl-1,3-oxazole-5-carboxylic acid
Names & synonyms
YFBRBPAEWGSEES-WDEREUQCSA-Ncis(+/-)-2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidin-1-yl)-4-methyl-1,3-oxazole-5-carboxylic acid
Database identifiers
- PubChem CID
- 86648588
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 584
Related reactions
2 records
Compound notes
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