(3S)-3-(3-bromo-1-methyl-1H-pyrazol-4-yl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
Basic information
- CAS
2171143-41-0- Standard SMILES
Cn1cc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c(Br)n1- InChIKey
QUUDEMPHACISAW-IBGZPJMESA-N- Molecular formula
- C22H20BrN3O4
- Average molar mass
- 470.3 g/mol
- Monoisotopic mass
- 469.06372
Names & identifiers
- Preferred name
- (3S)-3-(3-bromo-1-methyl-1H-pyrazol-4-yl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
- IUPAC
- (3S)-3-(3-bromo-1-methylpyrazol-4-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Names & synonyms
2171143-41-0(3S)-3-(3-bromo-1-methyl-1H-pyrazol-4-yl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acidEN300-1286899
Database identifiers
- CAS
2171143-41-0- PubChem CID
- 165961900
- EC Number
- 187-728-3
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 614
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…