![N(ALPHA),N(EPSILON)-BIS-[(2R,3S,4S,5R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANECARBONYL]-L-LYSYL-[S-(TERT.-BUTYLTHIO)]-L-CYSTEINYL-GLYCINE](/api/spectrum/HwcjbjtTbls/structure.png?h=300&w=458 "N(ALPHA),N(EPSILON)-BIS-[(2R,3S,4S,5R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANECARBONYL]-L-LYSYL-[S-(TERT.-BUTYLTHIO)]-L-CYSTEINYL-GLYCINE")
| SpectraBase Compound ID | 6O9033j1umx |
|---|---|
| InChI | InChI=1S/C27H50N4O16S2/c1-27(2,3)49-48-11-13(23(44)29-8-16(36)37)31-24(45)12(30-26(47)22(43)20(41)18(39)15(35)10-33)6-4-5-7-28-25(46)21(42)19(40)17(38)14(34)9-32/h12-15,17-22,32-35,38-43H,4-11H2,1-3H3,(H,28,46)(H,29,44)(H,30,47)(H,31,45)(H,36,37)/t12-,13-,14-,15+,17-,18+,19-,20+,21+,22-/m1/s1 |
| InChIKey | JSOIDISTQIUZLN-RAJLTAEPSA-N |
| Mol Weight | 750.8 g/mol |
| Molecular Formula | C27H50N4O16S2 |
| Exact Mass | 750.266324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HwcjbjtTbls |
|---|---|
| Name | N(ALPHA),N(EPSILON)-BIS-[(2R,3S,4S,5R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANECARBONYL]-L-LYSYL-[S-(TERT.-BUTYLTHIO)]-L-CYSTEINYL-GLYCINE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H50N4O16S2 |
| InChI | InChI=1S/C27H50N4O16S2/c1-27(2,3)49-48-11-13(23(44)29-8-16(36)37)31-24(45)12(30-26(47)22(43)20(41)18(39)15(35)10-33)6-4-5-7-28-25(46)21(42)19(40)17(38)14(34)9-32/h12-15,17-22,32-35,38-43H,4-11H2,1-3H3,(H,28,46)(H,29,44)(H,30,47)(H,31,45)(H,36,37)/t12-,13-,14-,15+,17-,18+,19-,20+,21+,22-/m1/s1 |
| InChIKey | JSOIDISTQIUZLN-RAJLTAEPSA-N |
| Literature Reference Author | C.GRANDJEAN,C.ROMMENS,H.GRAS-MASSE,O.MELNYK |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2967(1999) |
| Literature Reference DOI | 10.1039/a904679h |
| Molecular Weight | 750.831 g/mol |
| Solvent | H2O:D2O=9:1 |