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Summary Geometry Related PDB entries

R5G

Summary

Name:	N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide
Formula:	C17 H15 N3 O4
Formal charge:	0
Formula weight:	325.319 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-oxidanyl-1-[[4-(oxidanylcarbamoyl)phenyl]methyl]indole-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2cc1c(cc(C(=O)NO)cc1)n2Cc3ccc(C(NO)=O)cc3
InChI	InChI	1.03	InChI=1S/C17H15N3O4/c21-16(18-23)13-3-1-11(2-4-13)10-20-8-7-12-5-6-14(9-15(12)20)17(22)19-24/h1-9,23-24H,10H2,(H,18,21)(H,19,22)
InChIKey	InChI	1.03	IRJZGNPPEWBPKI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)c1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
SMILES	CACTVS	3.385	ONC(=O)c1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO

218500

PDB entries from 2024-04-17

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