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Summary Geometry Related PDB entries

RFN

Summary

Name:	(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide
Formula:	C17 H20 N2 O5 S
Formal charge:	0
Formula weight:	364.416 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide
OpenEye OEToolkits	1.7.2	(2R)-2-methyl-2-methylsulfonyl-N-oxidanyl-4-(2-oxidanylidene-4-phenyl-pyridin-1-yl)butanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(C(C(=O)NO)(CCN1C=CC(=CC1=O)c2ccccc2)C)C
InChI	InChI	1.03	InChI=1S/C17H20N2O5S/c1-17(16(21)18-22,25(2,23)24)9-11-19-10-8-14(12-15(19)20)13-6-4-3-5-7-13/h3-8,10,12,22H,9,11H2,1-2H3,(H,18,21)/t17-/m1/s1
InChIKey	InChI	1.03	NFQOWMXNJNMRTA-QGZVFWFLSA-N
SMILES_CANONICAL	CACTVS	3.370	C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)[S](C)(=O)=O
SMILES	CACTVS	3.370	C[C](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)[S](C)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O)C
SMILES	OpenEye OEToolkits	1.7.2	CC(CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O)C

227344

数据于2024-11-13公开中

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