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Summary Geometry Related PDB entries

SNZ

Summary

Name:	N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea
Formula:	C15 H16 N2 O5
Formal charge:	0
Formula weight:	304.298 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea
OpenEye OEToolkits	2.0.7	1-[3,4-bis(oxidanyl)phenyl]-3-[2-[3,4-bis(oxidanyl)phenyl]ethyl]urea

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(c1cc(c(O)cc1)O)C(=O)NCCc2ccc(c(c2)O)O
InChI	InChI	1.03	InChI=1S/C15H16N2O5/c18-11-3-1-9(7-13(11)20)5-6-16-15(22)17-10-2-4-12(19)14(21)8-10/h1-4,7-8,18-21H,5-6H2,(H2,16,17,22)
InChIKey	InChI	1.03	XPAUTCCLOUPUGJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccc(CCNC(=O)Nc2ccc(O)c(O)c2)cc1O
SMILES	CACTVS	3.385	Oc1ccc(CCNC(=O)Nc2ccc(O)c(O)c2)cc1O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O

222415

数据于2024-07-10公开中

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