(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-(trifluoromethoxy)phenyl)propanoic acid

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Basic information

CAS: 1260607-83-7
Standard SMILES: O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1OC(F)(F)F
InChIKey: UZDHWIOSCJWAAT-NRFANRHFSA-N
Molecular formula: C25H20F3NO5
Average molar mass: 471.4 g/mol
Monoisotopic mass: 471.12935722

Names & identifiers

Preferred name: (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-(trifluoromethoxy)phenyl)propanoic acid
IUPAC: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid

Names & synonyms

1260607-83-7(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-(trifluoromethoxy)phenyl)propanoic acidDTXSID001117496(S)-3-N-Fmoc-3-(2-(trifluoromethoxy)phenyl)propanoic acid(3S)-3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-3-[2-(trifluoromethoxy)phenyl]propanoic acidBenzenepropanoic acid, I(2)-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-(trifluoromethoxy)-, (I(2)S)-

Database identifiers

CAS: 1260607-83-7
PubChem CID: 72209293
DTXSID: DTXSID001117496

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 84.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 34
Formal charge: 0
Complexity: 695

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Compound notes

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