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ZH8

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
Formula:	C17 H22 N3 O7
Formal charge:	1
Formula weight:	380.372 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4-oxo-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
OpenEye OEToolkits	2.0.7	~{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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(=O)NC1C(O)C(O)C(CO)OC1OCC=1CC(=O)[n+]2ccccc2N=1
InChI	InChI	1.06	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
InChIKey	InChI	1.06	IMUQPAHFXRVTMB-JSPVNYKOSA-O
SMILES_CANONICAL	CACTVS	3.385	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCC2=Nc3cccc[n+]3C(=O)C2
SMILES	CACTVS	3.385	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCC2=Nc3cccc[n+]3C(=O)C2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2=Nc3cccc[n+]3C(=O)C2)CO)O)O
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NC1C(C(C(OC1OCC2=Nc3cccc[n+]3C(=O)C2)CO)O)O

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