(Q82990641)

English

1-(1-{[(Benzyloxy)(hydroxy)methylidene]amino}-2,2,2-trifluoroethyl)-N-[tert-butoxy(hydroxy)methylidene]histidine

group of stereoisomers with the chemical formula C₂₁H₂₅F₃N₄O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

486.17261918 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₅F₃N₄O₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)(C)OC(O)=NC(Cc1cn(C(N=C(O)OCc2ccccc2)C(F)(F)F)cn1)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)(C)OC(O)=N[C@@H](Cc1cn(C(N=C(O)OCc2ccccc2)C(F)(F)F)cn1)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C21H25F3N4O6/c1-20(2,3)34-19(32)26-15(16(29)30)9-14-10-28(12-25-14)17(21(22,23)24)27-18(31)33-11-13-7-5-4-6-8-13/h4-8,10,12,15,17H,9,11H2,1-3H3,(H,26,32)(H,27,31)(H,29,30)/t15-,17?/m0/s1

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InChIKey

MXBLBDHOSUWYDH-MYJWUSKBSA-N

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CAS Registry Number

7682-45-3

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InChIKey

MXBLBDHOSUWYDH-MYJWUSKBSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=7682-45-3

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26 December 2021

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DSSTOX compound identifier

DTXCID901425133

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(Q82990641)

1-(1-{[(Benzyloxy)(hydroxy)methylidene]amino}-2,2,2-trifluoroethyl)-N-[tert-butoxy(hydroxy)methylidene]histidine

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