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Summary Geometry Related PDB entries

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Summary

Name:	(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide
Formula:	C17 H19 Cl N2 O
Formal charge:	0
Formula weight:	302.799 Da
Component type:	non-polymer

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(C)C
InChI	InChI	1.06	InChI=1S/C17H19ClN2O/c1-11(2)16(13-5-4-6-14(18)9-13)17(21)20-15-10-19-8-7-12(15)3/h4-11,16H,1-3H3,(H,20,21)/t16-/m1/s1
InChIKey	InChI	1.06	AIEXTLCJBMNDNF-MRXNPFEDSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)[C@@H](C(=O)Nc1cnccc1C)c2cccc(Cl)c2
SMILES	CACTVS	3.385	CC(C)[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)[C@@H](c2cccc(c2)Cl)C(C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)C(C)C

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건을2024-07-24부터공개중

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