Basic information
- CAS
14227-46-4- Standard SMILES
O=C(CNC(=O)OCc1ccccc1)NCC(=O)N1CC2CC(C1)c1cccc(=O)n1C2- InChIKey
NHLSAYPMYLLLFX-UHFFFAOYSA-N- Molecular formula
- C23H26N4O5
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.19031994
Names & identifiers
- Preferred name
- Cytisine, 12-[N-(N-carboxyglycyl)glycyl]-, benzyl ester
- IUPAC
- benzyl N-[2-oxo-2-[[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]amino]ethyl]carbamate
Names & synonyms
Cytisine, 12-[N-(N-carboxyglycyl)glycyl]-, benzyl esterDTXSID50120447614227-46-4N~2~-[(Benzyloxy)carbonyl]-N-[2-oxo-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)ethyl]glycinamide
Database identifiers
- CAS
14227-46-4- PubChem CID
- 5111550
- DTXSID
DTXSID501204476
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 817
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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