Basic information
- Standard SMILES
O=C(CCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@H]1OC(CBr)CBr- InChIKey
BZKZQYHPPLRRRI-LEEZEASISA-N- Molecular formula
- C24H27Br2N3O4
- Average molar mass
- 581.3 g/mol
- Monoisotopic mass
- 579.03683
Names & identifiers
- Preferred name
- (3S,4S)-3-{N-(3-phenylpropionoyl)-L-phenylalanyl}amino-4-(1,3-dibromoprop-2-yl)oxy-azetidin-2-one
- IUPAC
- (2S)-N-[(2S,3S)-2-(1,3-dibromopropan-2-yloxy)-4-oxoazetidin-3-yl]-3-phenyl-2-(3-phenylpropanoylamino)propanamide
Names & synonyms
SCHEMBL7441867BZKZQYHPPLRRRI-LEEZEASISA-N(3S,4S)-3-{N-(3-phenylpropionoyl)-L-phenylalanyl}amino-4-(1,3-dibromoprop-2-yl)oxy-azetidin-2-one
Database identifiers
- PubChem CID
- 70093249
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 650
Related reactions
1 records
Compound notes
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