Basic information
- Standard SMILES
CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](O)CN2)C1=O- InChIKey
LAMCTYMUFVYFER-LKXUBEQSSA-N- Molecular formula
- C33H44F2N4O5
- Average molar mass
- 614.7 g/mol
- Monoisotopic mass
- 614.32797684
Names & identifiers
- Preferred name
- (S)-2-((S)-3-acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R,4R)-4-hydroxypyrrolidin-2-yl)propan-2-yl)-4-phenylbutanamide
- IUPAC
- (2S)-2-[(3S)-3-acetamido-3-[(2R)-butan-2-yl]-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-hydroxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
Names & synonyms
SCHEMBL4800866LAMCTYMUFVYFER-LKXUBEQSSA-N(S)-2-((S)-3-acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R,4R)-4-hydroxypyrrolidin-2-yl)propan-2-yl)-4-phenylbutanamide
Database identifiers
- PubChem CID
- 69196515
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 974
Related reactions
2 records
Compound notes
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