| SpectraBase Spectrum ID |
2sBkKU15DMO |
| Name |
N'-tert-butyl-valine-N-(2,3,4,6-tetra-O-ethyl-.beta.,D-glucopyranosylamine)phenylthioacetic acid dev. |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H52N2O7S |
| InChI |
InChI=1S/C31H52N2O7S/c1-10-36-19-23-26(37-11-2)27(38-12-3)28(39-13-4)30(40-23)33(24(34)20-41-22-17-15-14-16-18-22)25(21(5)6)29(35)32-31(7,8)9/h14-18,21,23,25-28,30H,10-13,19-20H2,1-9H3,(H,32,35) |
| InChIKey |
IASRVMDBXKCJNG-UHFFFAOYSA-N |
| Molecular Weight |
596.824 g/mol |
| SMILES |
N(C(C(N(C1C(C(OCC)C(C(O1)COCC)OCC)OCC)C(CSc1ccccc1)=O)C(C)C)=O)C(C)(C)C |
| SPLASH |
splash10-014i-0900000000-c024258bf329c0439d7a |
| Source of Spectrum |
SO-0-1097-10 |
| Wiley ID |
1542763 |
