N-[(Benzyloxy)carbonyl]-O-(trifluoromethyl)-L-tyrosine

HCID 69017443

Notes Reactions

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Basic information

CAS: 656829-68-4
Standard SMILES: O=C(N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)O)OCc1ccccc1
InChIKey: FQSFJSFDPUXREO-HNNXBMFYSA-N
Molecular formula: C18H16F3NO5
Average molar mass: 383.3 g/mol
Monoisotopic mass: 383.09805727

Names & identifiers

Preferred name: N-[(Benzyloxy)carbonyl]-O-(trifluoromethyl)-L-tyrosine
IUPAC: (2S)-2-(phenylmethoxycarbonylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid

Names & synonyms

N-[(Benzyloxy)carbonyl]-O-(trifluoromethyl)-L-tyrosine656829-68-4SCHEMBL4364617DTXSID30739533(2S)-2-{[(benzyloxy)carbonyl]amino}-3-[4-(trifluoromethoxy)phenyl]propanoic acid

Database identifiers

CAS: 656829-68-4
PubChem CID: 69017443
DTXSID: DTXSID30739533

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 84.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 486

Related reactions

2 records

New reaction record

HRID 1799298As productuspto-grants-2013_01

HRID 1799302As reactantuspto-grants-2013_01

Compound notes

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