Basic information
- Standard SMILES
CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc2nnn(O)c2c1- InChIKey
GXVJJXAPRWHGTB-CRAIPNDOSA-N- Molecular formula
- C20H21BrN4O5
- Average molar mass
- 477.3 g/mol
- Monoisotopic mass
- 476.06953
Names & identifiers
- Preferred name
- (2R,4R)-5-(4-Bromophenyl)-2-hydroxy-4-[(3-hydroxy-3H-benzotriazole-5-carbonyl)-amino]-pentanoic Acid Ethyl Ester
- IUPAC
- ethyl (2R,4R)-5-(4-bromophenyl)-2-hydroxy-4-[(3-hydroxybenzotriazole-5-carbonyl)amino]pentanoate
Names & synonyms
SCHEMBL9930031GXVJJXAPRWHGTB-CRAIPNDOSA-N(2R,4R)-5-(4-Bromophenyl)-2-hydroxy-4-[(3-hydroxy-3H-benzotriazole-5-carbonyl)-amino]-pentanoic Acid Ethyl Ester
Database identifiers
- PubChem CID
- 67969686
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 590
Related reactions
3 records
Compound notes
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