1-Benzoyl-N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]amino}propan-2-yl]-L-prolinamide
Basic information
- CAS
59191-28-5- Standard SMILES
O=C(NCC(=O)N1CCCC1)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1- InChIKey
UMHFZZOFAMDGCR-GOTSBHOMSA-N- Molecular formula
- C27H32N4O5
- Average molar mass
- 492.6 g/mol
- Monoisotopic mass
- 492.23727013
Names & identifiers
- Preferred name
- 1-Benzoyl-N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]amino}propan-2-yl]-L-prolinamide
- IUPAC
- (2S)-1-benzoyl-N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]pyrrolidine-2-carboxamide
Names & synonyms
59191-28-5DTXSID007872081-Benzoyl-N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]amino}propan-2-yl]-L-prolinamide
Database identifiers
- CAS
59191-28-5- PubChem CID
- 71363696
- DTXSID
DTXSID00787208
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 785
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Compound notes
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