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L-(2R,3R)-5-(3-benzylcarbamoyl-2,3-dihydroxy-propionamido)-1,3-phthalic acid dimethyl ester
SpectraBase Compound ID Bw6DzEaKr11
InChI InChI=1S/C21H22N2O8/c1-30-20(28)13-8-14(21(29)31-2)10-15(9-13)23-19(27)17(25)16(24)18(26)22-11-12-6-4-3-5-7-12/h3-10,16-17,24-25H,11H2,1-2H3,(H,22,26)(H,23,27)/t16-,17-/m1/s1
InChIKey NQIDBUPOJIBRBT-IAGOWNOFSA-N
Mol Weight 430.41 g/mol
Molecular Formula C21H22N2O8
Exact Mass 430.137616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gs01q8SkeQ8
Name L-(2R,3R)-5-(3-benzylcarbamoyl-2,3-dihydroxy-propionamido)-1,3-phthalic acid dimethyl ester
Appearance White solid
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Formula C21H22N2O8
InChI InChI=1S/C21H22N2O8/c1-30-20(28)13-8-14(21(29)31-2)10-15(9-13)23-19(27)17(25)16(24)18(26)22-11-12-6-4-3-5-7-12/h3-10,16-17,24-25H,11H2,1-2H3,(H,22,26)(H,23,27)/t16-,17-/m1/s1
InChIKey NQIDBUPOJIBRBT-IAGOWNOFSA-N
Instrument Name Micromass ZabSpec
Ionization Type EI
Molecular Weight 430.413 g/mol
Optical Rotation [a]D20 = +137.0 (20mg/2ml, CH3OH)
Reported Formula C21H22N2O8
SMILES N(c1cc(cc(c1)C(OC)=O)C(=O)OC)C([C@@]([C@](C(NCc1ccccc1)=O)(O)[H])(O)[H])=O
SPLASH splash10-0006-9400100000-4632d4d12922011a17a2
Source of Spectrum CN101209976B
Wiley ID 1844541