6-benzyl-3-benzyloxycarbonylamino-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid tert-butyl Ester

HCID 69601014

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

Related reactions

4 records

Compound notes

Loading…