Basic information
- Standard SMILES
COc1c2c(nc3occc13)C(=N)C[C@H]1C(C)(C)CC(=O)[C@@]21OC- InChIKey
UWJQESKYRBMKSY-BBATYDOGSA-N- Molecular formula
- C18H20N2O4
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.14230712
Overview
structure in first source
Names & identifiers
- Preferred name
- Megistosarcimine
- IUPAC
- (2S,6S)-8-imino-2,16-dimethoxy-5,5-dimethyl-12-oxa-10-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),10,13,15-tetraen-3-one
Names & synonyms
MegistosarcimineRefChem:925434(2S,6S)-8-imino-2,16-dimethoxy-5,5-dimethyl-12-oxa-10-azatetracyclo(7.7.0.02,6.011,15)hexadeca-1(9),10,13,15-tetraen-3-one
Database identifiers
- Nikkaji
- J1.247.677I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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