(2R,3S)-2-((((9H-Fluoren-9-YL)methoxy)carbonyl)amino)-3-phenylbutanoic acid
Basic information
- CAS
321524-82-7- Standard SMILES
C[C@@H](c1ccccc1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O- InChIKey
ZQWJZRLWGALBIQ-QMHKHESXSA-N- Molecular formula
- C25H23NO4
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.16270821
Names & identifiers
- Preferred name
- (2R,3S)-2-((((9H-Fluoren-9-YL)methoxy)carbonyl)amino)-3-phenylbutanoic acid
- IUPAC
- (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylbutanoic acid
- English name
- D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-β-methyl-, (βS)-
- Molecular formula
- C25H23NO4
- Molecular weight
- 401.46
Names & synonyms
321524-82-7MFCD02259739(2R,3S)-2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-3-PHENYLBUTANOIC ACIDrel-(2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylbutanoic acid321524-80-5(betaS)-N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-beta-methyl-D-phenylalaninestarbld0021114SCHEMBL2449095(3S)-Fmoc-3-Me-D-Phe-OHDTXSID301166028AT30254(S)-N-Fmoc-beta-methyl-D-phenylalanine
Show more names
(S)-N-Fmoc-b-methyl-D-phenylalanine(2R,3S)-2-Fmoc-amino-3-phenyl-butyric acidD-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-β-methyl-, (βS)-
SY398048(2R,3S)-2-Fmoc-amino-3-phenylbutanoic acid(2R,3S)-2-(Fmoc-amino)-3-phenylbutanoic AcidF849782(|AS)-N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-|A-methyl-D-phenylalanine(2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-butanoic acid(2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylbutanoic acid(betaS)-N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-beta-methyl-D-phenylalanine
Database identifiers
- CAS
321524-82-7- PubChem CID
- 40558481
- DTXSID
DTXSID301166028
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Boiling point
- 616.2 · 616.2±50.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- pka
- 3.79 · 3.79±0.10(Predicted)
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