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(+)-(1R,2R,3S)-2-(3-(N-Benzyloxycarbonyl-L-threonyloxy)-1-n-butyl-2-isobutylcarbonyloxybutyl)-4,5-diphenyloxazole

View entire compound with spectra: 1 MS (GC)

(+)-(1R,2R,3S)-2-(3-(N-Benzyloxycarbonyl-L-threonyloxy)-1-n-butyl-2-isobutylcarbonyloxybutyl)-4,5-diphenyloxazole
SpectraBase Compound ID 9IFvmaYXapD
InChI InChI=1S/C40H48N2O8/c1-6-7-23-32(38-41-35(30-19-13-9-14-20-30)37(50-38)31-21-15-10-16-22-31)36(49-33(44)24-26(2)3)28(5)48-39(45)34(27(4)43)42-40(46)47-25-29-17-11-8-12-18-29/h8-22,26-28,32,34,36,43H,6-7,23-25H2,1-5H3,(H,42,46)/t27-,28+,32-,34+,36+/m1/s1
InChIKey ZFIGVXYGBKYKOX-HZJCUELXSA-N
Mol Weight 684.8 g/mol
Molecular Formula C40H48N2O8
Exact Mass 684.341067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uorSquJ5sp
Name (+)-(1R,2R,3S)-2-(3-(N-Benzyloxycarbonyl-L-threonyloxy)-1-n-butyl-2-isobutylcarbonyloxybutyl)-4,5-diphenyloxazole
Alternate Name(s) (1S,2R,3R)-3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-methyl-2-[(3-methylbutanoyl)oxy]heptyl (2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoate 3-Methylbutanoic acid[(2S,3R,4R)-4-(4,5-diphenyl-2-oxazolyl)-2-[(2S,3R)-3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]octan-3-yl]ester 3-Methylbutyric acid[(1R,2R)-1-[(1S)-1-[(2S,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]oxyethyl]-2-(4,5-diphenyloxazol-2-yl)hexyl]ester [(1R,2R)-1-[(1S)-1-[(2S,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]oxyethyl]-2-(4,5-diphenyloxazol-2-yl)hexyl]3-methylbutanoate [(2S,3R,4R)-4-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxyoctan-3-yl]3-methylbutanoate [(2S,3R,4R)-4-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(2S,3R)-3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-octan-3-yl]3-methylbutanoate 3-Methylbutanoic acid [(2S,3R,4R)-4-(4,5-diphenyl-2-oxazolyl)-2-[(2S,3R)-3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]octan-3-yl] ester [(2S,3R,4R)-4-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxyoctan-3-yl] 3-methylbutanoate [(1R,2R)-1-[(1S)-1-[(2S,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]oxyethyl]-2-(4,5-diphenyloxazol-2-yl)hexyl] 3-methylbutanoate [(2S,3R,4R)-4-(4,5-diphenyl-1,3-oxazol-2-yl)-2-[(2S,3R)-3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-octan-3-yl] 3-methylbutanoate
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Formula C40H48N2O8
InChI InChI=1S/C40H48N2O8/c1-6-7-23-32(38-41-35(30-19-13-9-14-20-30)37(50-38)31-21-15-10-16-22-31)36(49-33(44)24-26(2)3)28(5)48-39(45)34(27(4)43)42-40(46)47-25-29-17-11-8-12-18-29/h8-22,26-28,32,34,36,43H,6-7,23-25H2,1-5H3,(H,42,46)/t27-,28+,32-,34+,36+/m1/s1
InChIKey ZFIGVXYGBKYKOX-HZJCUELXSA-N
Molecular Weight 684.830 g/mol
SMILES N([C@@]([C@](O)(C)[H])(C(O[C@]([C@@]([C@](c1nc(-c2ccccc2)c(o1)-c1ccccc1)(CCCC)[H])(OC(=O)CC(C)C)[H])(C)[H])=O)[H])C(=O)OCc1ccccc1
SPLASH splash10-000t-0009000000-acabd7e4400b04e78c5e
Source of Spectrum F-48-7069-17
Wiley ID 1414480