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(5S)-2,2-Bis(trifluoromethyl)-[N-(9-fluorenylmethoxycarbonyl)phenylalanylaminomethyl]-5-methyl-1,3-dioxolan-4-one
SpectraBase Compound ID 1Jt31Ids7k4
InChI InChI=1S/C31H26F6N2O6/c1-28(26(41)44-29(45-28,30(32,33)34)31(35,36)37)17-38-25(40)24(15-18-9-3-2-4-10-18)39-27(42)43-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,23-24H,15-17H2,1H3,(H,38,40)(H,39,42)/t24-,28-/m0/s1
InChIKey JXLKAJBBRNPNCJ-CUBQBAPOSA-N
Mol Weight 636.55 g/mol
Molecular Formula C31H26F6N2O6
Exact Mass 636.169506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9I6NoHEFmUN
Name (5S)-2,2-Bis(trifluoromethyl)-[N-(9-fluorenylmethoxycarbonyl)phenylalanylaminomethyl]-5-methyl-1,3-dioxolan-4-one
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Formula C31H26F6N2O6
InChI InChI=1S/C31H26F6N2O6/c1-28(26(41)44-29(45-28,30(32,33)34)31(35,36)37)17-38-25(40)24(15-18-9-3-2-4-10-18)39-27(42)43-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,23-24H,15-17H2,1H3,(H,38,40)(H,39,42)/t24-,28-/m0/s1
InChIKey JXLKAJBBRNPNCJ-CUBQBAPOSA-N
Molecular Weight 636.547 g/mol
SMILES N(C([C@@](NC(OCC1c2c(cccc2)-c2c1cccc2)=O)(Cc1ccccc1)[H])=O)C[C@@]1(OC(OC1=O)(C(F)(F)F)C(F)(F)F)C
SPLASH splash10-004i-4900002000-78e45e48d7b3a31f7b54
Source of Spectrum SO-0-1279-9
Synonyms 9H-fluoren-9-ylmethyl (1S)-1-benzyl-2-({[(4S)-4-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]methyl}amino)-2-oxoethylcarbamate
Wiley ID 874047