L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-[(trifluoromethyl)sulfonyl]-, methyl ester

HCID 14560583

Notes Reactions

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Basic information

Standard SMILES: COC(=O)C(Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)OC(C)(C)C
InChIKey: JZWGAKDJDOFGPF-UHFFFAOYSA-N
Molecular formula: C16H20F3NO7S
Average molar mass: 427.4 g/mol

Names & identifiers

Preferred name: L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-[(trifluoromethyl)sulfonyl]-, methyl ester
IUPAC: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate

Names & synonyms

C16H20F3NO7SL-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-[(trifluoromethyl)sulfonyl]-, methyl esterSCHEMBL1819934JZWGAKDJDOFGPF-UHFFFAOYSA-NN-Boc-O4-triflyl-L-tyrosine methyl ester

Database identifiers

PubChem CID: 14560583

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 116 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 10
Rotatable bonds: 9
Heavy atoms: 28
Formal charge: 0
Complexity: 645

Related reactions

9 records

New reaction record

HRID 89521As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 178555As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 309829As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 668926As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 672762As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1122486As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1221856As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1236005As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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