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

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1 entries where VNB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	4
Bond Count	31
Aromatic Bond Count	0

2D diagram of VNB

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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
Formula	C₈ H₁₈ N₂ O₃
Molecular Weight	190.24
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C)C[CH]1N[CH](CO)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.7	CN(C)CC1C(C(C(N1)CO)O)O
Canonical SMILES	CACTVS	3.385	CN(C)C[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(C)C[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O
InChI	InChI	1.06	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
InChIKey	InChI	1.06	UTJUIABWRUKQDR-XUTVFYLZSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.