Basic information
- Standard SMILES
Cc1c(-c2ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc2)c(=O)n(C)c(=O)n1C- InChIKey
SSWYXDSEGDETGF-HNNXBMFYSA-N- Molecular formula
- C21H27N3O6
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.18998559
Names & identifiers
- Preferred name
- N-[(1,1-dimethylethoxy)carbonyl]-4-(1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-L-phenylalanine
- IUPAC
- (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoic acid
Names & synonyms
SCHEMBL5164143SSWYXDSEGDETGF-HNNXBMFYSA-NN-[(1,1-dimethylethoxy)carbonyl]-4-(1,3,6-trimethyl-2,4-dioxo-5-pyrimidinyl)-L-phenylalanine
Database identifiers
- PubChem CID
- 69337268
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 746
Related reactions
2 records
Compound notes
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