| SpectraBase Compound ID | 6Vks4Qa4r48 |
|---|---|
| InChI | InChI=1S/C24H30N7O11P/c1-12(30-24(36)39-8-14-6-4-3-5-7-14)21(34)29-13(2)23(35)42-43(37,38)40-9-15-17(32)18(33)22(41-15)31-11-28-16-19(25)26-10-27-20(16)31/h3-7,10-13,15,17-18,22,32-33H,8-9H2,1-2H3,(H,29,34)(H,30,36)(H,37,38)(H2,25,26,27)/t12-,13-,15+,17+,18+,22+/m1/s1 |
| InChIKey | OEBLYZVAHZUZCR-BIVPTAMWSA-N |
| Mol Weight | 623.52 g/mol |
| Molecular Formula | C24H30N7O11P |
| Exact Mass | 623.174092 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9y4R8E8c8pM |
|---|---|
| Name | ADENOSINE-5'-MONOPHOSPHORIC-(N-CARBOXYBENZYLOXYALANINE)-N-ALANINE-MIXED-ANHYDRIDE;CBZ-ALANYL-ALANYL-AMP;100_MM_MGCL2 |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H29N7O11P |
| InChI | InChI=1S/C24H30N7O11P/c1-12(30-24(36)39-8-14-6-4-3-5-7-14)21(34)29-13(2)23(35)42-43(37,38)40-9-15-17(32)18(33)22(41-15)31-11-28-16-19(25)26-10-27-20(16)31/h3-7,10-13,15,17-18,22,32-33H,8-9H2,1-2H3,(H,29,34)(H,30,36)(H,37,38)(H2,25,26,27)/t12-,13-,15+,17+,18+,22+/m1/s1 |
| InChIKey | OEBLYZVAHZUZCR-BIVPTAMWSA-N |
| Literature Reference Author | O.F.SCHALL,I.SUZUKI,C.L.MURRAY,J.I.GORDON,G.W.GOKEL |
| Literature Reference Citation | J.ORG.CHEM.,63,8661(1998) |
| Literature Reference DOI | 10.1021/jo971874f |
| Solvent | 20%_DMSO-D6:150MM_TAPS;PH=9 |
| Source File Reference | UWMZ26132 |