methyl (2S)-5-(4-bromophenyl)-2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-4-pentynoate
Basic information
- Standard SMILES
COC(=O)[C@H](CC#Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C- InChIKey
IVPICSNJLMKWJV-AWEZNQCLSA-N- Molecular formula
- C17H20BrNO4
- Average molar mass
- 382.2 g/mol
- Monoisotopic mass
- 381.05757
Names & identifiers
- Preferred name
- methyl (2S)-5-(4-bromophenyl)-2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-4-pentynoate
- IUPAC
- methyl (2S)-5-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate
Names & synonyms
SCHEMBL12973323IVPICSNJLMKWJV-AWEZNQCLSA-Nmethyl (2S)-5-(4-bromophenyl)-2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-4-pentynoate
Database identifiers
- PubChem CID
- 59596703
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 478
Related reactions
2 records
Compound notes
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