Basic information
- Standard SMILES
CC1c2c(c(O)c(C(=O)NCC(=O)OC(C)(C)C)c(=O)n2Cc2ccc(Br)cc2)CN1C(=O)c1cscn1- InChIKey
RYBAIOLZRKIYRQ-UHFFFAOYSA-N- Molecular formula
- C26H27BrN4O6S
- Average molar mass
- 603.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl N-{[1-(4-bromobenzyl)-4-hydroxy-7-methyl-2-oxo-6-(1,3-thiazol-4-ylcarbonyl)-2,5,6,7-tetrahydro-1H-pyrrolo[3,4-b]pyridin-3-yl]carbonyl}glycinate
- IUPAC
- tert-butyl 2-[[1-[(4-bromophenyl)methyl]-4-hydroxy-7-methyl-2-oxo-6-(1,3-thiazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]acetate
Names & synonyms
RYBAIOLZRKIYRQ-UHFFFAOYSA-Ntert-Butyl N-{[1-(4-bromobenzyl)-4-hydroxy-7-methyl-2-oxo-6-(1,3-thiazol-4-ylcarbonyl)-2,5,6,7-tetrahydro-1H-pyrrolo[3,4-b]pyridin-3-yl]carbonyl}glycinate
Database identifiers
- PubChem CID
- 86649730
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
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