Z-Tyr(tbu)-ome
Basic information
- CAS
5068-29-1- Standard SMILES
COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCc1ccccc1- InChIKey
IPRNNTJYTNRIDM-IBGZPJMESA-N- Molecular formula
- C22H27NO5
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.18892296
Names & identifiers
- Preferred name
- Z-Tyr(tbu)-ome
- IUPAC
- methyl (2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate
- English name
- Z-TYR(TBU)-OME
- Molecular formula
- C22H27NO5
- Molecular weight
- 385.45
Names & synonyms
Z-TYR(TBU)-OME5068-29-1MFCD00237370Cbz-O-tert-butyl-L-tyrosine methyl esterO-(1,1-Dimethylethyl)-N-[(Phenylmethoxy)Carbonyl]-L-Tyrosine Methyl Ester(S)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoatemethyl (2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoateMethyl (S)-2-(((benzyloxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoateCbz-Tyr(tBu)-OMeZ-Tyr(But)-OMeCbz-L-Tyr(tBu)-OMeZ-TYROSINE(TBU)-OME
Show more names
Z-L-Tyr(tBu)-OMeCbz-Tyr(tBu)-0MeZ-TYROSYL-L-TERT-BUTYL METHYL ESTERLinaclotide Impurity 15 (Z-Tyr(tBu)-OMe)
SCHEMBL13919532IPRNNTJYTNRIDM-IBGZPJMESA-NDTXSID101147616Z-O-t-Butyl-L-tyrosine methyl esterAKOS015913833A9963A687WAS-10569SY400206
Database identifiers
- CAS
5068-29-1- PubChem CID
- 7019804
- DTXSID
DTXSID101147616- UNII
- A9963A687W
- Nikkaji
- J1.167.061J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Boiling point
- 529.8 · 529.8±50.0 °C(Predicted)
- Density
- 1.138 · 1.138±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Solid
- pka
- 10.81 · 10.81±0.46(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 5068 · 5068-29-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Suppliers
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Related reactions
3 records
Compound notes
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