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Summary Geometry Related PDB entries

A1H5Y

Summary

Name:	(2~{R},3~{S},4~{R},5~{S},6~{S})-6-[(2~{S})-2,3-bis(oxidanyl)propoxy]-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol
Formula:	C17 H23 N3 O7
Formal charge:	0
Formula weight:	381.38 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(2~{R},3~{S},4~{R},5~{S},6~{S})-6-[(2~{S})-2,3-bis(oxidanyl)propoxy]-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C17H23N3O7/c21-7-11(23)9-26-17-14(16(25)15(24)13(8-22)27-17)20-6-12(18-19-20)10-4-2-1-3-5-10/h1-6,11,13-17,21-25H,7-9H2/t11-,13+,14-,15+,16+,17-/m0/s1
InChIKey	InChI	1.06	GSGMTGQMFKHBQW-RLKGDUNQSA-N
SMILES_CANONICAL	CACTVS	3.385	OC[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1n2cc(nn2)c3ccccc3
SMILES	CACTVS	3.385	OC[CH](O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1n2cc(nn2)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC[C@H](CO)O)CO)O)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cn(nn2)C3C(C(C(OC3OCC(CO)O)CO)O)O

248335

PDB entries from 2026-01-28

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