![BIS-[(GUANIN-9-YL-ACETYL)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-(SERINE-HYDROXYL)-DILACTONE-DISULFIDE](/api/spectrum/E7ZfCc6kyvJ/structure.png?h=300&w=458 "BIS-[(GUANIN-9-YL-ACETYL)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-(SERINE-HYDROXYL)-DILACTONE-DISULFIDE")
| SpectraBase Compound ID | CVgSUWg9ZEz |
|---|---|
| InChI | InChI=1S/C42H56N18O14S2/c1-15(2)25-39(71)73-9-19(49-23(61)7-59-13-45-27-29(59)55-41(43)57-37(27)69)33(65)47-18(6)32(64)52-22-12-76-75-11-21(35(67)53-25)51-31(63)17(5)48-34(66)20(10-74-40(72)26(16(3)4)54-36(22)68)50-24(62)8-60-14-46-28-30(60)56-42(44)58-38(28)70/h13-22,25-26H,7-12H2,1-6H3,(H,47,65)(H,48,66)(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,67)(H,54,68)(H3,43,55,57,69)(H3,44,56,58,70)/t17-,18-,19+,20+,21-,22-,25-,26-/m0/s1 |
| InChIKey | IULFLBFPNKSINE-UTCYLHRASA-N |
| Mol Weight | 1101.1 g/mol |
| Molecular Formula | C42H56N18O14S2 |
| Exact Mass | 1100.366481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7ZfCc6kyvJ |
|---|---|
| Name | BIS-[(GUANIN-9-YL-ACETYL)-D-SERINE-L-ALANINE-L-CYSTEINE-L-VALINE]-(SERINE-HYDROXYL)-DILACTONE-DISULFIDE |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H56N18O14S2 |
| InChI | InChI=1S/C42H56N18O14S2/c1-15(2)25-39(71)73-9-19(49-23(61)7-59-13-45-27-29(59)55-41(43)57-37(27)69)33(65)47-18(6)32(64)52-22-12-76-75-11-21(35(67)53-25)51-31(63)17(5)48-34(66)20(10-74-40(72)26(16(3)4)54-36(22)68)50-24(62)8-60-14-46-28-30(60)56-42(44)58-38(28)70/h13-22,25-26H,7-12H2,1-6H3,(H,47,65)(H,48,66)(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,67)(H,54,68)(H3,43,55,57,69)(H3,44,56,58,70)/t17-,18-,19+,20+,21-,22-,25-,26-/m0/s1 |
| InChIKey | IULFLBFPNKSINE-UTCYLHRASA-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 | 1101.139 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN21418 |