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Basic information
- Standard SMILES
Cc1ccc(F)cc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NC2CCCC2)CC1=O- InChIKey
KTTVTGFRALPTCW-AGHHOFFYSA-N- Molecular formula
- C25H39FN4O3
- Average molar mass
- 462.6 g/mol
Names & identifiers
- Preferred name
- (2r,4s,5s)-5-Amino-6-[2,2-dimethyl-4-(5-fluoro-2-methylphenyl)-5-oxopiperazin-1-yl]-4-hydroxy-2-methylhexanoic acid cyclopentylamide
- IUPAC
- (2R,4S,5S)-5-amino-N-cyclopentyl-6-[4-(5-fluoro-2-methylphenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-methylhexanamide
Names & synonyms
SCHEMBL292040KTTVTGFRALPTCW-AGHHOFFYSA-N(2r,4s,5s)-5-amino-6-[2,2-dimethyl-4-(5-fluoro-2-methylphenyl)-5-oxopiperazin-1-yl]-4-hydroxy-2-methylhexanoic acid cyclopentylamide
Database identifiers
- PubChem CID
- 24969005
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 685
Related reactions
1 records
Compound notes
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