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ADENOSINE-5'-MONOPHOSPHORIC-(N-CARBOXYBENZYLOXYALANINE)-N-ALANINE-MIXED-ANHYDRIDE;CBZ-ALANYL-ALANYL-AMP
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

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