![#29;[N-(1)-(BENZYLOXYCARBONYL)-N-(4)-[N-ACETYL-N-[3-THIO-(2-ACETAMIDOETHYL)]-PROPYL-[(BETA-D-GALACTOPYRANOSYL)-(1->4)-BETA-D-GLUCOPYRANOSYLAMINE]]-L-GLUTAMYL]-](/api/spectrum/FUjJ52tf1D8/structure.png?h=300&w=458 "#29;[N-(1)-(BENZYLOXYCARBONYL)-N-(4)-[N-ACETYL-N-[3-THIO-(2-ACETAMIDOETHYL)]-PROPYL-[(BETA-D-GALACTOPYRANOSYL)-(1->4)-BETA-D-GLUCOPYRANOSYLAMINE]]-L-GLUTAMYL]-")
| SpectraBase Compound ID | CsN2ZG2bUSm |
|---|---|
| InChI | InChI=1S/2C34H52N4O17S/c2*1-18(41)38(32-28(48)27(47)30(22(16-40)53-32)55-33-29(49)26(46)25(45)21(15-39)54-33)11-5-12-56-13-10-35-23(42)9-8-20(31(50)36-14-24(43)44)37-34(51)52-17-19-6-3-2-4-7-19/h2*2-4,6-7,20-22,25-30,32-33,39-40,45-49H,5,8-17H2,1H3,(H,35,42)(H,36,50)(H,37,51)(H,43,44)/t2*20-,21-,22-,25+,26+,27-,28-,29-,30-,32-,33+/m00/s1 |
| InChIKey | UIRBWLBYTWDAEO-SIGYNFGLSA-N |
| Mol Weight | 1641.7 g/mol |
| Molecular Formula | C68H104N8O34S2 |
| Exact Mass | 1640.609635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FUjJ52tf1D8 |
|---|---|
| Name | #29;[N-(1)-(BENZYLOXYCARBONYL)-N-(4)-[N-ACETYL-N-[3-THIO-(2-ACETAMIDOETHYL)]-PROPYL-[(BETA-D-GALACTOPYRANOSYL)-(1->4)-BETA-D-GLUCOPYRANOSYLAMINE]]-L-GLUTAMYL]- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H104N8O34S2 |
| InChI | InChI=1S/2C34H52N4O17S/c2*1-18(41)38(32-28(48)27(47)30(22(16-40)53-32)55-33-29(49)26(46)25(45)21(15-39)54-33)11-5-12-56-13-10-35-23(42)9-8-20(31(50)36-14-24(43)44)37-34(51)52-17-19-6-3-2-4-7-19/h2*2-4,6-7,20-22,25-30,32-33,39-40,45-49H,5,8-17H2,1H3,(H,35,42)(H,36,50)(H,37,51)(H,43,44)/t2*20-,21-,22-,25+,26+,27-,28-,29-,30-,32-,33+/m00/s1 |
| InChIKey | UIRBWLBYTWDAEO-SIGYNFGLSA-N |
| Literature Reference Author | D.RAMOS,P.ROLLIN,W.KLAFFKE |
| Literature Reference Citation | J.ORG.CHEM.,66,2948(2001) |
| Literature Reference DOI | 10.1021/jo001439c |
| Molecular Weight | 1641.727 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN26238 |