![BIS-[(ADENIN-9-YL-ACETYL)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-(SERINE-HYDROXYL)-DILACTONE-DISULFIDE](/api/spectrum/E3am8dhmppB/structure.png?h=300&w=458 "BIS-[(ADENIN-9-YL-ACETYL)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-(SERINE-HYDROXYL)-DILACTONE-DISULFIDE")
| SpectraBase Compound ID | CFgeLTCsWYq |
|---|---|
| InChI | InChI=1S/C42H56N18O12S2/c1-17(2)27-41(69)71-9-21(53-25(61)7-59-15-49-29-31(43)45-13-47-33(29)59)37(65)51-20(6)36(64)56-24-12-74-73-11-23(39(67)57-27)55-35(63)19(5)52-38(66)22(10-72-42(70)28(18(3)4)58-40(24)68)54-26(62)8-60-16-50-30-32(44)46-14-48-34(30)60/h13-24,27-28H,7-12H2,1-6H3,(H,51,65)(H,52,66)(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,67)(H,58,68)(H2,43,45,47)(H2,44,46,48)/t19-,20-,21+,22+,23-,24-,27-,28-/m0/s1 |
| InChIKey | ZFKDVGVBTGKORZ-FBBQZNCESA-N |
| Mol Weight | 1069.1 g/mol |
| Molecular Formula | C42H56N18O12S2 |
| Exact Mass | 1068.376652 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E3am8dhmppB |
|---|---|
| Name | BIS-[(ADENIN-9-YL-ACETYL)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-(SERINE-HYDROXYL)-DILACTONE-DISULFIDE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H56N18O12S2 |
| InChI | InChI=1S/C42H56N18O12S2/c1-17(2)27-41(69)71-9-21(53-25(61)7-59-15-49-29-31(43)45-13-47-33(29)59)37(65)51-20(6)36(64)56-24-12-74-73-11-23(39(67)57-27)55-35(63)19(5)52-38(66)22(10-72-42(70)28(18(3)4)58-40(24)68)54-26(62)8-60-16-50-30-32(44)46-14-48-34(30)60/h13-24,27-28H,7-12H2,1-6H3,(H,51,65)(H,52,66)(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,67)(H,58,68)(H2,43,45,47)(H2,44,46,48)/t19-,20-,21+,22+,23-,24-,27-,28-/m0/s1 |
| InChIKey | ZFKDVGVBTGKORZ-FBBQZNCESA-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 | 1069.140 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN21419 |