Basic information
- Standard SMILES
COC[C@H](C)NC(=O)[C@H](Cc1ccc(OCCCF)cc1)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1- InChIKey
PRHUDUYOEXZUOO-XZZVZQAVSA-N- Molecular formula
- C28H37F2N3O6S
- Average molar mass
- 581.7 g/mol
- Monoisotopic mass
- 581.23711341
Names & identifiers
- Preferred name
- (S)-1-(3-Fluoro-benzenesulfonyl)-piperidine-2-carboxylic acid [(S)-2-[4-(3-fluoro-propoxy)-phenyl]-1-((S)-2-methoxy-1-methyl-ethylcarbamoyl)-ethyl]-amide
- IUPAC
- (2S)-1-(3-fluorophenyl)sulfonyl-N-[(2S)-3-[4-(3-fluoropropoxy)phenyl]-1-[[(2S)-1-methoxypropan-2-yl]amino]-1-oxopropan-2-yl]piperidine-2-carboxamide
Names & synonyms
SCHEMBL629802PRHUDUYOEXZUOO-XZZVZQAVSA-N(S)-1-(3-Fluoro-benzenesulfonyl)-piperidine-2-carboxylic acid [(S)-2-[4-(3-fluoro-propoxy)-phenyl]-1-((S)-2-methoxy-1-methyl-ethylcarbamoyl)-ethyl]-amide
Database identifiers
- PubChem CID
- 11570577
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 897
Related reactions
1 records
Compound notes
Loading…