VNB

(2~{R},3~{R},4~{S},5~{R})-2-[(dimethylamino)methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol

Created: 2023-08-01
Last modified:  2024-04-10

Find related ligands:

Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count4
Bond Count31
Aromatic Bond Count0
2D diagram of VNB

Chemical Component Summary

Name(2~{R},3~{R},4~{S},5~{R})-2-[(dimethylamino)methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
Systematic Name (OpenEye OEToolkits)(2~{R},3~{R},4~{S},5~{R})-2-[(dimethylamino)methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
FormulaC8 H18 N2 O3
Molecular Weight190.24
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CN(C)C[CH]1N[CH](CO)[CH](O)[CH]1O
SMILESOpenEye OEToolkits2.0.7CN(C)CC1C(C(C(N1)CO)O)O
Canonical SMILESCACTVS3.385 CN(C)C[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits2.0.7 CN(C)C[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O
InChIInChI1.06 InChI=1S/C8H18N2O3/c1-10(2)3-5-7(12)8(13)6(4-11)9-5/h5-9,11-13H,3-4H2,1-2H3/t5-,6-,7-,8+/m1/s1
InChIKeyInChI1.06 UTJUIABWRUKQDR-XUTVFYLZSA-N

Related Resource References

Resource NameReference
PubChem 171116058