Basic information
- Standard SMILES
CC(=O)OC(C)OC(=O)[C@H](Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cc1)NC(=O)OC(C)(C)C- InChIKey
YVDRWOIIQYCHNI-CVMIBEPCSA-N- Molecular formula
- C25H33N3O8
- Average molar mass
- 503.5 g/mol
Names & identifiers
- Preferred name
- N-[(1,1-dimethylethoxy)carbonyl]-4-(1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-L-phenylalanine 1-(acetoxy)ethyl ester
- IUPAC
- 1-acetyloxyethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoate
Names & synonyms
SCHEMBL5163857YVDRWOIIQYCHNI-CVMIBEPCSA-NN-[(1,1-dimethylethoxy)carbonyl]-4-(1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-L-phenylalanine 1-(acetoxy)ethyl ester
Database identifiers
- PubChem CID
- 69337137
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 915
Related reactions
2 records
Compound notes
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