![N(ALPHA),N(EPSILON)-BIS-[(1S(N),3R,4S(N),5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBONYL]-L-LYSYL-[S-(TERT.-BUTYLTHIO)]-L-CYSTEINYL-GLYCINE](/api/spectrum/AS3eVERq4YY/structure.png?h=300&w=458 "N(ALPHA),N(EPSILON)-BIS-[(1S(N),3R,4S(N),5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBONYL]-L-LYSYL-[S-(TERT.-BUTYLTHIO)]-L-CYSTEINYL-GLYCINE")
| SpectraBase Compound ID | 19GbQWoI5iC |
|---|---|
| InChI | InChI=1S/C29H50N4O14S2/c1-27(2,3)49-48-13-15(23(42)31-12-20(38)39)32-24(43)14(33-26(45)29(47)10-18(36)22(41)19(37)11-29)6-4-5-7-30-25(44)28(46)8-16(34)21(40)17(35)9-28/h14-19,21-22,34-37,40-41,46-47H,4-13H2,1-3H3,(H,30,44)(H,31,42)(H,32,43)(H,33,45)(H,38,39)/t14-,15-,16-,17-,18-,19-,21-,22-,28+,29+/m1/s1 |
| InChIKey | ALAOSYNDBHCOPM-SPMPMJJGSA-N |
| Mol Weight | 742.9 g/mol |
| Molecular Formula | C29H50N4O14S2 |
| Exact Mass | 742.276495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AS3eVERq4YY |
|---|---|
| Name | N(ALPHA),N(EPSILON)-BIS-[(1S(N),3R,4S(N),5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBONYL]-L-LYSYL-[S-(TERT.-BUTYLTHIO)]-L-CYSTEINYL-GLYCINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H50N4O14S2 |
| InChI | InChI=1S/C29H50N4O14S2/c1-27(2,3)49-48-13-15(23(42)31-12-20(38)39)32-24(43)14(33-26(45)29(47)10-18(36)22(41)19(37)11-29)6-4-5-7-30-25(44)28(46)8-16(34)21(40)17(35)9-28/h14-19,21-22,34-37,40-41,46-47H,4-13H2,1-3H3,(H,30,44)(H,31,42)(H,32,43)(H,33,45)(H,38,39)/t14-,15-,16-,17-,18-,19-,21-,22-,28+,29+/m1/s1 |
| InChIKey | ALAOSYNDBHCOPM-SPMPMJJGSA-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 | 742.854 g/mol |
| Solvent | H2O:D2O=9:1 |