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| IUPAC Name: | (2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid |
| Description: | L-valyl-L-histidyl-L-leucyl-L-threonyl-L-prolyl-L-glutamic Acid, is used as an analyte for the determination of ionization efficiency of glycated and non-glycated peptides from N-terminal of Hb β-chain by electrospray ionization mass spectrometry. |
| Molecular Weight: | 694.78 + x(114.02) |
| Molecular Formula: | C31H50N8O10·xC2HF3O2 |
| Canonical SMILES: | CC(C)CC(C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(C(C)C)N |
| InChI: | InChI=1S/C31H50N8O10/c1-15(2)11-20(36-26(43)21(12-18-13-33-14-34-18)37-29(46)24(32)16(3)4)27(44)38-25(17(5)40)30(47)39-10-6-7-22(39)28(45)35-19(31(48)49)8-9-23(41)42/h13-17,19-22,24-25,40H,6-12,32H2,1-5H3,(H,33,34)(H,35,45)(H,36,43)(H,37,46)(H,38,44)(H,41,42)(H,48,49)/t17-,19+,20+,21+,22+,24+,25+/m1/s1 |
| InChI Key: | DEIPYKUUXZWBBB-RMLYOVGASA-N |
| Melting Point: | 138-142°C |
| Solubility: | DMSO, Methanol |
| Appearance: | White Solid |
| Storage: | Refrigerator |
| References: | Nakanishi, T., et al., J. Chromatogr. B. Biomed. Sci. Appl., 746, 83 (2000). |
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