Basic information
- Standard SMILES
CCOC(=O)C[C@@H](Cc1ccc(Br)cc1)NC(=O)CCC(=O)OC(C)(C)C- InChIKey
OIVCIBMLQRUEMA-MRXNPFEDSA-N- Molecular formula
- C20H28BrNO5
- Average molar mass
- 442.3 g/mol
Names & identifiers
- Preferred name
- (R)-tert-butyl 4-(1-(4-bromophenyl)-4-ethoxy-4-oxobutan-2-ylamino)-4-oxobutanoate
- IUPAC
- tert-butyl 4-[[(2R)-1-(4-bromophenyl)-4-ethoxy-4-oxobutan-2-yl]amino]-4-oxobutanoate
Names & synonyms
SCHEMBL1912544OIVCIBMLQRUEMA-MRXNPFEDSA-N(R)-tert-butyl 4-(1-(4-bromophenyl)-4-ethoxy-4-oxobutan-2-ylamino)-4-oxobutanoate
Database identifiers
- PubChem CID
- 59607774
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 495
Related reactions
6 records
Compound notes
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