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#8;ETHYL-(4-NITROPHENYL)-(11-[(2-[(2-[6-(5-[(3AR,4R,6AS)-2-OXOPERHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL]-PENTANOYLAMINO)-HEXANOYL]-AMINOETHYL)-DISULFANYL]-ETHYLAMIN

Compound with spectra: 2 NMR

#8;ETHYL-(4-NITROPHENYL)-(11-[(2-[(2-[6-(5-[(3AR,4R,6AS)-2-OXOPERHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL]-PENTANOYLAMINO)-HEXANOYL]-AMINOETHYL)-DISULFANYL]-ETHYLAMIN
SpectraBase Compound ID DEOjGiu08Ab
InChI InChI=1S/C40H67N6O10PS3/c1-2-55-57(53,56-33-22-20-32(21-23-33)46(51)52)28-16-9-7-5-3-4-6-8-15-27-54-40(50)43-26-30-60-59-29-25-42-37(48)18-11-10-14-24-41-36(47)19-13-12-17-35-38-34(31-58-35)44-39(49)45-38/h20-23,34-35,38H,2-19,24-31H2,1H3,(H,41,47)(H,42,48)(H,43,50)(H2,44,45,49)/t34-,35-,38-,57?/m0/s1
InChIKey UYFBVAZJOJQAJO-VTHWNTOWSA-N
Mol Weight 919.2 g/mol
Molecular Formula C40H67N6O10PS3
Exact Mass 918.381843 g/mol
Enantiomer InChIKey UYFBVAZJOJQAJO-MMGRFTCZSA-N

View Spectrum of #8;ETHYL-(4-NITROPHENYL)-(11-[(2-[(2-[6-(5-[(3AR,4R,6AS)-2-OXOPERHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL]-PENTANOYLAMINO)-HEXANOYL]-AMINOETHYL)-DISULFANYL]-ETHYLAMIN

31P NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of #8;ETHYL-(4-NITROPHENYL)-(11-[(2-[(2-[6-(5-[(3AR,4R,6AS)-2-OXOPERHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL]-PENTANOYLAMINO)-HEXANOYL]-AMINOETHYL)-DISULFANYL]-ETHYLAMIN

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
BIOTINYL-AMINOCAPROYL-GLYCYL-(S-PALMITOYL)-L-CYSTEINE-ALLYLESTER;BIOTACAGLYCYS(PAL)OALL
#2;DESIRED-ISOMER;N-[6-((6-((BIOTINOYL)-AMINO)-HEXANOYL)-CYSTEINE-METHYLESTER-[S-(E,E)-3,7-DIMETHYL-2,6-OCTADIENE-8-[(E)-4-N-(2-DIAZO-3,3,3-TRIFLUOROPROPIONAMI
N-[4-(4-METHOXYTRITYL-AMINOMETHYL)-BENZYL]-BIOTINYLAMIDE
BIOT-4-(PARA)-1;N,N-BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-4-[6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOYLAMINO]-BENZAMIDE
3-BENZOYL-2-(10-UNDECENOYL)-1-DEOXY-RAC-SFINGANIN-1-DIETHYLPHOSPHONATE
2,10-Dichloro-6-butyl-12H-dibenzo(D,G)(1,3,2)dioxaphosphocin 6-oxide
2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-1-[4-[2-(methylamino)-4-nitrophenoxy]butyl]-, [1S-[1.alpha.(S*),2.alpha.,5.beta.]]-
O-(3-BENZOYL-2-STEAROYL-RAC-SFINGANIN-1-YL)-O-(2-CYANOETHYL)-O-(2-TRIMETHYLAMMONIOETHYL)PHOSPHATE TOSYLATE
3-BENZOYL-2-STEAROYL-1-DEOXY-RAC-SFINGANIN-1-DIETHYLPHOSPHONATE
2-[(4-cyanobenzyl)-ethoxy-phosphoryl]oxybenzoic acid methyl ester
Title Journal or Book Year
A novel biotinylated suicide inhibitor for directed molecular evolution of lipolytic enzymes Bioorganic & Medicinal Chemistry 2000
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