ZH8

~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[(4-oxidanylidene-3~{H}-pyrido[1,2-a]pyrimidin-2-yl)methoxy]oxan-3-yl]ethanamide

Created: 2023-03-10
Last modified:  2023-05-24

Help

Find related ligands:

Chemical Details

Formal Charge1
Atom Count49
Chiral Atom Count5
Bond Count51
Aromatic Bond Count6
2D diagram of ZH8
Toggle HydrogenToggle Labels

Chemical Component Summary

Name~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[(4-oxidanylidene-3~{H}-pyrido[1,2-a]pyrimidin-2-yl)methoxy]oxan-3-yl]ethanamide
Systematic Name (OpenEye OEToolkits)~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[(4-oxidanylidene-3~{H}-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]oxan-3-yl]ethanamide
FormulaC17 H22 N3 O7
Molecular Weight380.372
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CC(=O)NC1C(O)C(O)C(CO)OC1OCC=1CC(=O)[n+]2ccccc2N=1
SMILESCACTVS3.385CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCC2=Nc3cccc[n+]3C(=O)C2
SMILESOpenEye OEToolkits2.0.7CC(=O)NC1C(C(C(OC1OCC2=Nc3cccc[n+]3C(=O)C2)CO)O)O
Canonical SMILESCACTVS3.385 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCC2=Nc3cccc[n+]3C(=O)C2
Canonical SMILESOpenEye OEToolkits2.0.7 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2=Nc3cccc[n+]3C(=O)C2)CO)O)O
InChIInChI1.06 InChI=1S/C17H21N3O7/c1-9(22)18-14-16(25)15(24)11(7-21)27-17(14)26-8-10-6-13(23)20-5-3-2-4-12(20)19-10/h2-5,11,14-17,21,24-25H,6-8H2,1H3/p+1/t11-,14-,15-,16-,17-/m1/s1
InChIKeyInChI1.06 IMUQPAHFXRVTMB-JSPVNYKOSA-O