Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)NCC(=O)c1ccc(Br)cc1- InChIKey
UVVGJCAYLKZTBU-UHFFFAOYSA-N- Molecular formula
- C17H21BrN2O6
- Average molar mass
- 429.3 g/mol
Names & identifiers
- Preferred name
- ({[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-methyl}-tert-butoxycarbonyl-amino)-acetic acid
- IUPAC
- 2-[[2-[[2-(4-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Names & synonyms
SCHEMBL203926UVVGJCAYLKZTBU-UHFFFAOYSA-N1256386-17-0DA-32253({[2-(4-bromo-phenyl)-2-oxo-ethylcarbamoyl]-methyl}-tert-butoxycarbonyl-amino)-acetic acid
Database identifiers
- PubChem CID
- 59611182
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 538
Related reactions
12 records
Compound notes
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