Methyl n-[(benzyloxy)carbonyl]valyltyrosinate
Basic information
- CAS
15149-72-1- Standard SMILES
COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C- InChIKey
SWPXBDJUGLEKES-UHFFFAOYSA-N- Molecular formula
- C23H28N2O6
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.19473662
Names & identifiers
- Preferred name
- Methyl n-[(benzyloxy)carbonyl]valyltyrosinate
- IUPAC
- methyl 3-(4-hydroxyphenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
- English name
- N-Cbz-Val-Tyr methyl ester
- Molecular formula
- C23H28N2O6
- Molecular weight
- 428.48
Names & synonyms
methyl n-[(benzyloxy)carbonyl]valyltyrosinatemethyl 3-(4-hydroxyphenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoateNSC89592DTXSID50293445NSC-89592AKOS003389445LS-15006ST078029DB-043100methyl 2-[(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoatemethyl 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoatemethyl 3-(4-hydroxyphenyl)-2-{3-methyl-2-[(phenylmethoxy)carbonylamino]butanoy lamino}propanoate
Show more names
NSC 89592Z-VAL-TYR-OMECbz-Val-Tyr-OmeCbz-L-Val-Tyr-OmeCbz-L-Val-L-Tyr-OMeCbz-L-Val-Tyr-Ome-OHCbz-Val-trymethylesterZ-Val-try methyl esterZ-VAL-TYR METHYL ESTERN-Cbz-Val-Tyr methyl ester
Database identifiers
- CAS
15149-72-1- PubChem CID
- 259576
- DTXSID
DTXSID50293445
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 583
Physicochemical properties
- Melting point
- 155.5 · 155.5-156℃
- Boiling point
- 654.7 · 654.7±55.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- pka
- 9.75 · 9.75±0.15(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- Consistent with structure
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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