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Summary Geometry Related PDB entries

M0G

Summary

Name:	(2S)-2-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide
Formula:	C16 H17 Cl N2 O2
Formal charge:	0
Formula weight:	304.771 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-2-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide
OpenEye OEToolkits	2.0.7	(2~{S})-2-(3-chlorophenyl)-~{N}-(4-methylpyridin-3-yl)-2-oxidanyl-butanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cnccc1C)C(O)(CC)c1cccc(Cl)c1
InChI	InChI	1.06	InChI=1S/C16H17ClN2O2/c1-3-16(21,12-5-4-6-13(17)9-12)15(20)19-14-10-18-8-7-11(14)2/h4-10,21H,3H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKey	InChI	1.06	NJXUEBRIEJJDBY-INIZCTEOSA-N
SMILES_CANONICAL	CACTVS	3.385	CC[C@@](O)(C(=O)Nc1cnccc1C)c2cccc(Cl)c2
SMILES	CACTVS	3.385	CC[C](O)(C(=O)Nc1cnccc1C)c2cccc(Cl)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC[C@](c1cccc(c1)Cl)(C(=O)Nc2cnccc2C)O
SMILES	OpenEye OEToolkits	2.0.7	CCC(c1cccc(c1)Cl)(C(=O)Nc2cnccc2C)O

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