Basic information
- Standard SMILES
COC(=O)CCC(C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1- InChIKey
YTEQIPLQAYNVIA-FZCLLLDFSA-N- Molecular formula
- C23H27NO6
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.18383758
Names & identifiers
- Preferred name
- N-(4-methoxycarbonyl-2-methylbutanoyl)-L-tyrosine benzyl ester
- IUPAC
- methyl 5-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-methyl-5-oxopentanoate
Names & synonyms
SCHEMBL11416632YTEQIPLQAYNVIA-FZCLLLDFSA-NN-(4-methoxycarbonyl-2-methylbutanoyl)-L-tyrosine benzyl ester
Database identifiers
- PubChem CID
- 54526057
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 552
Related reactions
1 records
Compound notes
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