Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L-
Basic information
- CAS
73680-51-0- Standard SMILES
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OC(Br)CBr- InChIKey
JGURDZWILNYABV-ABLWVSNPSA-N- Molecular formula
- C15H19Br2NO4
- Average molar mass
- 437.12 g/mol
- Monoisotopic mass
- 434.96808
Names & identifiers
- Preferred name
- Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 1,2-dibromoethyl ester, L-
- IUPAC
- 1,2-dibromoethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
- English name
- N-(Benzyloxycarbonyl)-L-valine 1,2-dibromoethyl ester
- Molecular formula
- C15H19Br2NO4
- Molecular weight
- 437.12
Names & synonyms
L-N-Benzyloxycarbonyl-3,3-dimethylalanine 1,2-dibromoethyl ester73680-51-0ALANINE, N-BENZYLOXYCARBONYL-3,3-DIMETHYL-, 1,2-DIBROMOETHYL ESTER, L-RefChem:318015DTXSID509945061,2-Dibromoethyl N-[(benzyloxy)(hydroxy)methylidene]valinate1,2-Dibromoethyl N-[(benzyloxy)(hydroxy)methylidene]-L-valinateN-(Benzyloxycarbonyl)-L-valine 1,2-dibromoethyl esterL-Valine, N-[(phenylmethoxy)carbonyl]-, 1,2-dibromoethyl ester
Database identifiers
- CAS
73680-51-0- PubChem CID
- 52105
- DTXSID
DTXSID50994506- Nikkaji
- J74.946J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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