Basic information
- Standard SMILES
C=CCOC(=O)CCC(NC(=O)Oc1ccc(COC(=O)N2c3cc(OC)c(OC)cc3C(=O)N3CCC[C@H]3[C@@H]2O)cc1)C(=O)OCC=C- InChIKey
CGLOIFJEBQNVAY-FESVCHPDSA-N- Molecular formula
- C34H39N3O12
- Average molar mass
- 681.7 g/mol
Names & identifiers
- Preferred name
- 2-[4-((11S,11aS)-7,8-dimethoxy-11-hydroxy-5-oxo-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-10-carbonyloxymethyl)-phenoxycarbonylamino]-pentanedioic acid diallyl ester
- IUPAC
- bis(prop-2-enyl) 2-[[4-[[(6S,6aS)-6-hydroxy-2,3-dimethoxy-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenoxy]carbonylamino]pentanedioate
Names & synonyms
SCHEMBL4954491CGLOIFJEBQNVAY-FESVCHPDSA-N2-[4-((11S,11aS)-7,8-dimethoxy-11-hydroxy-5-oxo-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-10-carbonyloxymethyl)-phenoxycarbonylamino]-pentanedioic acid diallyl ester
Database identifiers
- PubChem CID
- 69255291
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 18
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
2 records
Compound notes
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