methyl (3S)-3-[3-hydroxy-4-oxo-6-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]pyran-2-yl]-3-(2,4,5-trimethoxyphenyl)propanoate
Basic information
- Standard SMILES
COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1oc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(=O)c1O- InChIKey
STWONHBMCAIVMR-UEXGIBASSA-N- Molecular formula
- C30H34N2O9
- Average molar mass
- 566.6 g/mol
- Monoisotopic mass
- 566.22643067
Names & identifiers
- Preferred name
- methyl (3S)-3-[3-hydroxy-4-oxo-6-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]pyran-2-yl]-3-(2,4,5-trimethoxyphenyl)propanoate
- IUPAC
- methyl (3S)-3-[3-hydroxy-4-oxo-6-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]pyran-2-yl]-3-(2,4,5-trimethoxyphenyl)propanoate
Database identifiers
- PubChem CID
- 99999999
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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