Basic information
- Standard SMILES
C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)[C@@H](C(=O)O)C[C@@]2(C)CC(=O)OC(C)(C)C- InChIKey
YKJMRGWJNFATGB-DWXRJYCRSA-N- Molecular formula
- C26H31N3O7
- Average molar mass
- 497.5 g/mol
Names & identifiers
- Preferred name
- (6R,8S)-3-(allyl-benzyloxycarbonyl-amino)-8-tert-butoxycarbonylmethyl-8-methyl-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
- IUPAC
- (6R,8S)-8-methyl-8-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid
Names & synonyms
SCHEMBL5901669YKJMRGWJNFATGB-DWXRJYCRSA-N(6R,8S)-3-(allyl-benzyloxycarbonyl-amino)-8-tert-butoxycarbonylmethyl-8-methyl-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
Database identifiers
- PubChem CID
- 69600615
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 975
Related reactions
2 records
Compound notes
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