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Summary Geometry Related PDB entries

03I

Summary

Name:	(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide
Formula:	C25 H34 N2 O6 S
Formal charge:	0
Formula weight:	490.612 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide
OpenEye OEToolkits	1.7.2	(2R)-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-N-oxidanyl-butanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(C)C(C(=O)NO)(C)CCc1ccc(cc1)c3ccc(OCCCN2CCOCC2)cc3
InChI	InChI	1.03	InChI=1S/C25H34N2O6S/c1-25(24(28)26-29,34(2,30)31)13-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)33-17-3-14-27-15-18-32-19-16-27/h4-11,29H,3,12-19H2,1-2H3,(H,26,28)/t25-/m1/s1
InChIKey	InChI	1.03	GGIDQMXKOSYOHO-RUZDIDTESA-N
SMILES_CANONICAL	CACTVS	3.370	C[C@@](CCc1ccc(cc1)c2ccc(OCCCN3CCOCC3)cc2)(C(=O)NO)[S](C)(=O)=O
SMILES	CACTVS	3.370	C[C](CCc1ccc(cc1)c2ccc(OCCCN3CCOCC3)cc2)(C(=O)NO)[S](C)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	C[C@@](CCc1ccc(cc1)c2ccc(cc2)OCCCN3CCOCC3)(C(=O)NO)S(=O)(=O)C
SMILES	OpenEye OEToolkits	1.7.2	CC(CCc1ccc(cc1)c2ccc(cc2)OCCCN3CCOCC3)(C(=O)NO)S(=O)(=O)C

218500

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