Basic information
- Standard SMILES
CC(=O)c1cc(C(=O)NN(Cc2ccc(-c3cc(Cl)ccc3F)cc2)C[C@@H](O)C(=O)O)[nH]n1- InChIKey
SGVLYMGNAOOXCQ-HXUWFJFHSA-N- Molecular formula
- C22H20ClFN4O5
- Average molar mass
- 474.9 g/mol
- Monoisotopic mass
- 474.1106256
Names & identifiers
- Preferred name
- (R)-3-[N'-(5-Acetyl-2H-pyrazole-3-carbonyl)-N-(5'-chloro-2'-fluorobiphenyl-4-ylmethyl)hydrazino]-2-hydroxypropionic acid
- IUPAC
- (2R)-3-[[(3-acetyl-1H-pyrazole-5-carbonyl)amino]-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]amino]-2-hydroxypropanoic acid
Names & synonyms
SCHEMBL16198685SGVLYMGNAOOXCQ-HXUWFJFHSA-N(R)-3-[N'-(5-Acetyl-2H-pyrazole-3-carbonyl)-N-(5'-chloro-2'-fluorobiphenyl-4-ylmethyl)hydrazino]-2-hydr oxy-propionic acid(R)-3-[N'-(5-Acetyl-2H-pyrazole-3-carbonyl)-N-(5'-chloro-2'-fluorobiphenyl-4-ylmethyl)hydrazino]-2-hydroxy-propionic acid(R)-3-[N'-(5-Acetyl-2H-pyrazole-3-carbonyl)-N-(5'-chloro-2'-fluorobiphenyl-4-ylmethyl)hydrazino]-2-hydroxypropionic acid
Database identifiers
- PubChem CID
- 86705116
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 708
Related reactions
10 records
Compound notes
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