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Summary Geometry Related PDB entries

TWS

Summary

Name:	N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide
Formula:	C18 H18 N2 O3
Formal charge:	0
Formula weight:	310.347 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide
OpenEye OEToolkits	2.0.7	4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]-~{N}-oxidanyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(ccc1C(NO)=O)Cn2cc(CCO)c3ccccc23
InChI	InChI	1.03	InChI=1S/C18H18N2O3/c21-10-9-15-12-20(17-4-2-1-3-16(15)17)11-13-5-7-14(8-6-13)18(22)19-23/h1-8,12,21,23H,9-11H2,(H,19,22)
InChIKey	InChI	1.03	ACXGELCLQKZFMQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OCCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13
SMILES	CACTVS	3.385	OCCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO

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數據於2024-07-17公開中

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