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Summary Geometry Related PDB entries

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Summary

Name:	(3~{R},4~{R})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
Formula:	C20 H23 N O7
Formal charge:	0
Formula weight:	389.399 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	(3~{R},4~{R})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C20H23NO7/c1-25-15-6-5-11(7-14(15)23)18-13(10-22)20(24)21(18)12-8-16(26-2)19(28-4)17(9-12)27-3/h5-9,13,18,22-23H,10H2,1-4H3/t13-,18-/m0/s1
InChIKey	InChI	1.03	JJGIUCCUMYQUIO-UGSOOPFHSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(cc1O)[C@H]2[C@H](CO)C(=O)N2c3cc(OC)c(OC)c(OC)c3
SMILES	CACTVS	3.385	COc1ccc(cc1O)[CH]2[CH](CO)C(=O)N2c3cc(OC)c(OC)c(OC)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	COc1ccc(cc1O)[C@H]2[C@@H](C(=O)N2c3cc(c(c(c3)OC)OC)OC)CO
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1O)C2C(C(=O)N2c3cc(c(c(c3)OC)OC)OC)CO

218500

数据于2024-04-17公开中

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