(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-fluorophenyl)butanoic acid
Basic information
- CAS
270596-52-6- Standard SMILES
O=C(O)C[C@H](Cc1cccc(F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
ZZCLRFMQVCVNGD-SFHVURJKSA-N- Molecular formula
- C25H22FNO4
- Average molar mass
- 419.4 g/mol
Names & identifiers
- Preferred name
- (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-fluorophenyl)butanoic acid
- IUPAC
- (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-fluorophenyl)butanoic acid
- English name
- Fmoc-(S)-3-amino-4-(3-fluoro-phenyl)-butyric acid
- Molecular formula
- C25H22FNO4
- Molecular weight
- 419.45
Names & synonyms
270596-52-6Fmoc-(S)-3-Amino-4-(3-fluoro-phenyl)-butyric acid(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-fluorophenyl)butanoic acidFmoc-(S)-3-amino-4-(3-fluorophenyl)-butyric acidMFCD02094568(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-fluorophenyl)butanoic acidC25H22FNO4Fmoc-beta-HPhe(3-F)-OH(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-fluorophenyl)butyric acidAKOS015948891FD10290(3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-(3-fluorophenyl)butanoic acid
Show more names
RARECHEM AK PT F067Fmoc-b-HoPhe(3-F)-OHFmoc-β-HoPhe(3-F)-OHFMOC-BETA-HOPHE(3-F)-OHFMOC-PHE(3-F)-(C*CH2)OHFMoc-3-fluoro-L-β-hoMophenylalanineFMOC-3-FLUORO-L-BETA-HOMOPHENYLALANINEFmoc-L-3-Amino-4-(3-fluorophenyl)butyric acidFmoc-(S)-3-amino-4-(3-fluorophenyl)-butyricaci
AC-22205AC-25451PS-12098SY255020CS-0062058EN300-23703427F609913(S)-3-(Fmoc-amino)-4-(3-fluorophenyl)butanoic Acid
Database identifiers
- CAS
270596-52-6
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 607
Physicochemical properties
- Boiling point
- 631.3 · 631.3±55.0 °C(Predicted)
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.35 · 4.35±0.10(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 270596 · 270596-52-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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