n2-Acetyl-n-[1-(5,6-dihydroxy-3-oxo-2,3,4,5,6,7-hexahydro-1h-indazol-4-yl)-2-hydroxypropyl]alaninamide
Basic information
- CAS
28095-13-8- Standard SMILES
CC(=O)NC(C)C(=O)NC(C(C)O)C1c2c([nH][nH]c2=O)CC(O)C1O- InChIKey
GGTIAMKWFQCSKV-UHFFFAOYSA-N- Molecular formula
- C15H24N4O6
- Average molar mass
- 356.37 g/mol
- Monoisotopic mass
- 356.1695845
Names & identifiers
- Preferred name
- n2-Acetyl-n-[1-(5,6-dihydroxy-3-oxo-2,3,4,5,6,7-hexahydro-1h-indazol-4-yl)-2-hydroxypropyl]alaninamide
- IUPAC
- 2-acetamido-N-[1-(5,6-dihydroxy-3-oxo-1,2,4,5,6,7-hexahydroindazol-4-yl)-2-hydroxypropyl]propanamide
Names & synonyms
28095-13-8NSC150057n2-acetyl-n-[1-(5,6-dihydroxy-3-oxo-2,3,4,5,6,7-hexahydro-1h-indazol-4-yl)-2-hydroxypropyl]alaninamideDTXSID80302296NSC-150057N~2~-Acetyl-N-[1-(5,6-dihydroxy-3-oxo-2,3,4,5,6,7-hexahydro-1H-indazol-4-yl)-2-hydroxypropyl]alaninamide
Database identifiers
- CAS
28095-13-8- PubChem CID
- 288735
- DTXSID
DTXSID80302296
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 607
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Related reactions
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Compound notes
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