![N(ALPHA),N(EPSILON)-BIS-[(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEXENECARBONYL]-L-LYSYL-[S-(TERT.-BUTYLTHIO)]-L-CYSTEINYL-GLYCINE](/api/spectrum/BRI9FTZtC53/structure.png?h=300&w=458 "N(ALPHA),N(EPSILON)-BIS-[(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEXENECARBONYL]-L-LYSYL-[S-(TERT.-BUTYLTHIO)]-L-CYSTEINYL-GLYCINE")
| SpectraBase Compound ID | GOn0zFMp7Th |
|---|---|
| InChI | InChI=1S/C29H46N4O12S2/c1-29(2,3)47-46-13-17(27(44)31-12-22(38)39)33-28(45)16(32-26(43)15-10-20(36)24(41)21(37)11-15)6-4-5-7-30-25(42)14-8-18(34)23(40)19(35)9-14/h8,10,16-21,23-24,34-37,40-41H,4-7,9,11-13H2,1-3H3,(H,30,42)(H,31,44)(H,32,43)(H,33,45)(H,38,39)/t16-,17-,18+,19+,20+,21+,23+,24+/m1/s1 |
| InChIKey | LZGDYMGKRNPIRX-YKDNGQIQSA-N |
| Mol Weight | 706.8 g/mol |
| Molecular Formula | C29H46N4O12S2 |
| Exact Mass | 706.255365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BRI9FTZtC53 |
|---|---|
| Name | N(ALPHA),N(EPSILON)-BIS-[(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEXENECARBONYL]-L-LYSYL-[S-(TERT.-BUTYLTHIO)]-L-CYSTEINYL-GLYCINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46N4O12S2 |
| InChI | InChI=1S/C29H46N4O12S2/c1-29(2,3)47-46-13-17(27(44)31-12-22(38)39)33-28(45)16(32-26(43)15-10-20(36)24(41)21(37)11-15)6-4-5-7-30-25(42)14-8-18(34)23(40)19(35)9-14/h8,10,16-21,23-24,34-37,40-41H,4-7,9,11-13H2,1-3H3,(H,30,42)(H,31,44)(H,32,43)(H,33,45)(H,38,39)/t16-,17-,18+,19+,20+,21+,23+,24+/m1/s1 |
| InChIKey | LZGDYMGKRNPIRX-YKDNGQIQSA-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 | 706.824 g/mol |
| Solvent | H2O:D2O=9:1 |