(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)-2-methylpropanoic acid

C25H22FNO4CAS 1172127-44-4419.45 g/mol

Open in Covalent MOL file
FOHONHOO
Aryl halideCarbamateCarboxylic acid

Properties

Molecular formula
C25H22FNO4
Molar mass
419.45 g/mol
Exact mass
419.1533 Da
logP
4.75Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1172127-44-4
SMILES
C[C@](CC1=CC=CC=C1F)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
VNYGHKCAXQKZEQ-VWLOTQADSA-N
InChI
InChI=1S/C25H22FNO4/c1-25(23(28)29,14-16-8-2-7-13-22(16)26)27-24(30)31-15-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-13,21H,14-15H2,1H3,(H,27,30)(H,28,29)/t25-/m0/s1

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Names and synonyms

1 names
  • (S)-N-Fmoc-alpha-methyl-2-fluorophenylalanine, 98% ee, 98%

Work with (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)-2-methylpropanoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fmoc-alpha-methyl-L-phe135944-05-778 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)-2-methylpropanoic acid246539-83-371 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isovaline857478-30-970 % similar (S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-2-methylhept-6-enoic acid288617-73-261 % similar (S)-N-Fmoc-2-(7'-octenyl) alanine288617-75-459 % similar (R)-N-Fmoc-2-(7'-octenyl) alanine945212-26-059 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2,3-dimethylbutanoic acid169566-81-858 % similar Fmoc-cycloleucine117322-30-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-(S)-3-amino-4-(4-fluoro-phenyl)-butyric acid270062-83-4 (βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-fluorobenzenebutanoic acid270596-49-1 Fmoc-(S)-3-amino-4-(3-fluoro-phenyl)-butyric acid270596-52-6

Elsewhere

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