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Methyl N-benzyloxycarbonyl-2-trifluoromethyl-.beta.-aspartyl-(.alpha.methylester)-S-phenylalaninate isomer
SpectraBase Compound ID 96O8aLFUPwe
InChI InChI=1S/C24H25F3N2O7/c1-34-20(31)18(13-16-9-5-3-6-10-16)28-19(30)14-23(21(32)35-2,24(25,26)27)29-22(33)36-15-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,28,30)(H,29,33)/t18-,23?/m0/s1
InChIKey LHGKHZSRXKIENL-XNUZUHMRSA-N
Mol Weight 510.47 g/mol
Molecular Formula C24H25F3N2O7
Exact Mass 510.161386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKJzH9KDrld
Name Methyl N-benzyloxycarbonyl-2-trifluoromethyl-.beta.-aspartyl-(.alpha.methylester)-S-phenylalaninate isomer
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Formula C24H25F3N2O7
InChI InChI=1S/C24H25F3N2O7/c1-34-20(31)18(13-16-9-5-3-6-10-16)28-19(30)14-23(21(32)35-2,24(25,26)27)29-22(33)36-15-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,28,30)(H,29,33)/t18-,23?/m0/s1
InChIKey LHGKHZSRXKIENL-XNUZUHMRSA-N
Molecular Weight 510.466 g/mol
SMILES N(C(CC(C(F)(F)F)(NC(=O)OCc1ccccc1)C(=O)OC)=O)[C@](C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-0006-9300000000-fb441c455836a3d83d51
Source of Spectrum KC-1992-272-18
Synonyms Methyl N-benzyloxycarbonyl-2-trifluoromethyl-.beta.-aspartyl-(.alpha.methylester)-S-phenylalaninate Methyl 4-{[(1S)-1-benzyl-2-methoxy-2-oxoethyl]amino}-2-{[(benzyloxy)carbonyl]amino}-4-oxo-2-(trifluoromethyl)butanoate
Wiley ID 776003