| SpectraBase Spectrum ID |
7WlU7MpQu2F |
| Name |
(2R,3R,4R,5S)-6-(((1E)-2-((1-acetyl-1H-benzo[d]imidazol-2-yl)diazenyl)-2-cyano-1-(((E)-ethoxymethylene)amino)vinyl)(methyl)amino)hexane-1,2,3,4,5-pentaylpentaacetate |
| Appearance |
Brown crystals |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
713.265669712 u |
| Formula |
C32H39N7O12 |
| InChI |
InChI=1S/C32H39N7O12/c1-9-46-17-34-31(25(14-33)36-37-32-35-24-12-10-11-13-26(24)39(32)18(2)40)38(8)15-27(48-20(4)42)29(50-22(6)44)30(51-23(7)45)28(49-21(5)43)16-47-19(3)41/h10-13,17,27-30H,9,15-16H2,1-8H3/b31-25-,34-17+,37-36?/t27-,28+,29-,30+/m0/s1 |
| InChIKey |
LKQNSSWDLIYHLT-NYIOWCQGSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1016/j.arabjc.2022.104505 |
| Molecular Weight |
713.701 g/mol |
| Quality |
194 |
| SMILES |
C(C)(=O)N1C(=NC2=C1C=CC=C2)N=N\C(=C\(\N=C\OCC)N(C)C[C@@]([C@](OC(C)=O)([C@](OC(C)=O)([C@@](COC(=O)C)(OC(C)=O)[H])[H])[H])(OC(=O)C)[H])C#N |
| SPLASH |
splash10-03ea-1797830100-73373427864f76336cbf |
| Source of Spectrum |
AJC-16-14-17 (DOI: 10.1016/j.arabjc.2022.104505) |
| Wiley ID |
1911041 |
![(2R,3R,4R,5S)-6-(((1E)-2-((1-acetyl-1H-benzo[d]imidazol-2-yl)diazenyl)-2-cyano-1-(((E)-ethoxymethylene)amino)vinyl)(methyl)amino)hexane-1,2,3,4,5-pentaylpentaacetate](/api/spectrum/7WlU7MpQu2F/structure.png?h=300&w=458 "(2R,3R,4R,5S)-6-(((1E)-2-((1-acetyl-1H-benzo[d]imidazol-2-yl)diazenyl)-2-cyano-1-(((E)-ethoxymethylene)amino)vinyl)(methyl)amino)hexane-1,2,3,4,5-pentaylpentaacetate")
