Basic information
- Standard SMILES
CCC(CC)C(O)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CNC(=O)OC(C)(C)C- InChIKey
PNYITBUFFQMQMX-BGERDNNASA-N- Molecular formula
- C25H38ClN3O5
- Average molar mass
- 496 g/mol
- Monoisotopic mass
- 495.249999
Names & identifiers
- Preferred name
- 1-(3-ethyl-2-hydroxypentanoyl)-N-(2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzyl)-L-prolinamide
- IUPAC
- tert-butyl N-[[4-chloro-2-[[[(2S)-1-(3-ethyl-2-hydroxypentanoyl)pyrrolidine-2-carbonyl]amino]methyl]phenyl]methyl]carbamate
Names & synonyms
SCHEMBL6927736PNYITBUFFQMQMX-BGERDNNASA-N1-(3-ethyl-2-hydroxypentanoyl)-N-(2-(tert-butyloxycarbonylaminomethyl)-5-chlorobenzyl)-L-prolinamide
Database identifiers
- PubChem CID
- 69939999
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 695
Related reactions
1 records
Compound notes
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