| SpectraBase Spectrum ID |
Gs01q8SkeQ8 |
| Name |
L-(2R,3R)-5-(3-benzylcarbamoyl-2,3-dihydroxy-propionamido)-1,3-phthalic acid dimethyl ester |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
