Basic information
- Standard SMILES
CC(C)(C)OC(=O)C1(Cc2ccccc2)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21- InChIKey
CQSQVEORBSAMOR-UHFFFAOYSA-N- Molecular formula
- C27H29N3O5
- Average molar mass
- 475.5 g/mol
- Monoisotopic mass
- 475.21072103
Names & identifiers
- Preferred name
- 6-benzyl-3-benzyloxycarbonylamino-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid tert-butyl Ester
- IUPAC
- tert-butyl 6-benzyl-4-oxo-3-(phenylmethoxycarbonylamino)-7,8-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylate
Names & synonyms
SCHEMBL5902675CQSQVEORBSAMOR-UHFFFAOYSA-N6-benzyl-3-benzyloxycarbonylamino-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid tert-butyl Ester
Database identifiers
- PubChem CID
- 69601014
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 878
Related reactions
4 records
Compound notes
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