ZI2

[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-4-amino-2,4-dideoxy-beta-D-glucopyranoside

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

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count6
Bond Count47
Aromatic Bond Count0
2D diagram of ZI2

Chemical Component Summary

Name[(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-4-amino-2,4-dideoxy-beta-D-glucopyranoside
Systematic Name (OpenEye OEToolkits)~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{S})-5-azanyl-2-[[(2~{S})-1,4-dioxan-2-yl]methoxy]-6-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]ethanamide
FormulaC13 H24 N2 O7
Molecular Weight320.339
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CC(=O)NC1C(O)C(N)C(CO)OC1OCC1COCCO1
SMILESCACTVS3.385CC(=O)N[CH]1[CH](O)[CH](N)[CH](CO)O[CH]1OC[CH]2COCCO2
SMILESOpenEye OEToolkits2.0.7CC(=O)NC1C(C(C(OC1OCC2COCCO2)CO)N)O
Canonical SMILESCACTVS3.385 CC(=O)N[C@@H]1[C@@H](O)[C@H](N)[C@@H](CO)O[C@H]1OC[C@@H]2COCCO2
Canonical SMILESOpenEye OEToolkits2.0.7 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2COCCO2)CO)N)O
InChIInChI1.06 InChI=1S/C13H24N2O7/c1-7(17)15-11-12(18)10(14)9(4-16)22-13(11)21-6-8-5-19-2-3-20-8/h8-13,16,18H,2-6,14H2,1H3,(H,15,17)/t8-,9+,10+,11+,12-,13+/m0/s1
InChIKeyInChI1.06 WHUIOPAZXMZGEJ-ZSIRSIGDSA-N

Related Resource References

Resource NameReference
PubChem 168069214