![#17;[(ADENIN-9-YL-ACETYL)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-[(GUANIN-9-YL-ACETYL)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-(SERINE-HYDROXYL)-DILACTONE-DIS](/api/spectrum/HlQfDdzR2rn/structure.png?h=300&w=458 "#17;[(ADENIN-9-YL-ACETYL)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-[(GUANIN-9-YL-ACETYL)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-(SERINE-HYDROXYL)-DILACTONE-DIS")
| SpectraBase Compound ID | 9GPAI0pOyHQ |
|---|---|
| InChI | InChI=1S/C42H56N18O13S2/c1-16(2)26-40(70)72-9-20(51-24(61)7-59-14-47-28-30(43)45-13-46-31(28)59)35(65)49-18(5)33(63)53-22-11-74-75-12-23(37(67)55-26)54-34(64)19(6)50-36(66)21(10-73-41(71)27(17(3)4)56-38(22)68)52-25(62)8-60-15-48-29-32(60)57-42(44)58-39(29)69/h13-23,26-27H,7-12H2,1-6H3,(H,49,65)(H,50,66)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,55,67)(H,56,68)(H2,43,45,46)(H3,44,57,58,69)/t18-,19-,20+,21+,22-,23-,26-,27-/m0/s1 |
| InChIKey | VALGUKMRYHWBDW-PZEJBAMDSA-N |
| Mol Weight | 1085.1 g/mol |
| Molecular Formula | C42H56N18O13S2 |
| Exact Mass | 1084.371566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HlQfDdzR2rn |
|---|---|
| Name | #17;[(ADENIN-9-YL-ACETYL)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-[(GUANIN-9-YL-ACETYL)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-(SERINE-HYDROXYL)-DILACTONE-DIS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H56N18O13S2 |
| InChI | InChI=1S/C42H56N18O13S2/c1-16(2)26-40(70)72-9-20(51-24(61)7-59-14-47-28-30(43)45-13-46-31(28)59)35(65)49-18(5)33(63)53-22-11-74-75-12-23(37(67)55-26)54-34(64)19(6)50-36(66)21(10-73-41(71)27(17(3)4)56-38(22)68)52-25(62)8-60-15-48-29-32(60)57-42(44)58-39(29)69/h13-23,26-27H,7-12H2,1-6H3,(H,49,65)(H,50,66)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,55,67)(H,56,68)(H2,43,45,46)(H3,44,57,58,69)/t18-,19-,20+,21+,22-,23-,26-,27-/m0/s1 |
| InChIKey | VALGUKMRYHWBDW-PZEJBAMDSA-N |
| Literature Reference Author | K.B.LORENZ,U.DIEDERICHSEN |
| Literature Reference Citation | J.ORG.CHEM.,69,3917(2004) |
| Literature Reference DOI | 10.1021/jo0496805 |
| Molecular Weight | 1085.139 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN21430 |