Basic information
- Standard SMILES
CC(C)(C)[C@H](NC(=O)c1ccc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1)C(=O)O- InChIKey
VWSCQMYUNAPGES-HSZRJFAPSA-N- Molecular formula
- C29H27N7O3
- Average molar mass
- 521.6 g/mol
Names & identifiers
- Preferred name
- (2S)-3,3-dimethyl-2-({4-[3-(1-quinolin-6-ylcyclopropyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoyl}amino)butanoic acid
- IUPAC
- (2S)-3,3-dimethyl-2-[[4-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoyl]amino]butanoic acid
Names & synonyms
SCHEMBL837390VWSCQMYUNAPGES-HSZRJFAPSA-N(2S)-3,3-dimethyl-2-({4-[3-(1-quinolin-6-ylcyclopropyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoyl}amino)butanoic acid
Database identifiers
- PubChem CID
- 59216331
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 913
Related reactions
3 records
Compound notes
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