Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)Cc1ccc(Br)cc1- InChIKey
GYXZKHKUVVKDHI-UHFFFAOYSA-N- Molecular formula
- C15H20BrNO4
- Average molar mass
- 358.23 g/mol
- Monoisotopic mass
- 357.05757
Names & identifiers
- Preferred name
- Boc-3-amino-4-(4-bromo-phenyl)-butyric acid
- IUPAC
- 4-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Names & synonyms
1824507-83-6Boc-3-amino-4-(4-bromo-phenyl)-butyric acidMFCD245322873-(Boc-amino)-4-(4-bromophenyl)butyric AcidBoc-(R)-3-amino-4-(4-bromo-phenyl)-butyric acidBoc-beta-hophe(4-br)-ohSCHEMBL740136Boc-D-beta-HomoPhe(4-Br)-OHBoc-4-bromo-D-b-homophenylalanineBoc-4-bromo-L-b-homophenylalanineAC4942AKOS032947907
Show more names
SB36308SB36646SY224954Boc-3-amino-4-(4-bromo-phenyl)-butyricacidCS-03425903-(Boc-amino)-4-(4-bromophenyl)-butanoic acidBoc-(S)-3-amino-4-(4-bromophenyl)-butyric acid(S)-Boc-3-amino-4-(4-bromo-phenyl)-butyric acid
Database identifiers
- PubChem CID
- 53397991
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Related reactions
8 records
Compound notes
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