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Summary Geometry Related PDB entries

HBJ

Summary

Name:	4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide
Formula:	C26 H28 N4 O4
Formal charge:	0
Formula weight:	460.525 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide
OpenEye OEToolkits	2.0.6	4-[[[4-(dimethylamino)phenyl]carbonyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]methyl]-~{N}-oxidanyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c1ccc(cc1)CN(CC(Nc2ccc(C)cc2)=O)C(c3ccc(cc3)N(C)C)=O)(NO)=O
InChI	InChI	1.03	InChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32)
InChIKey	InChI	1.03	UEKPDDMOEDHDCS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)c1ccc(cc1)C(=O)N(CC(=O)Nc2ccc(C)cc2)Cc3ccc(cc3)C(=O)NO
SMILES	CACTVS	3.385	CN(C)c1ccc(cc1)C(=O)N(CC(=O)Nc2ccc(C)cc2)Cc3ccc(cc3)C(=O)NO
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1)NC(=O)CN(Cc2ccc(cc2)C(=O)NO)C(=O)c3ccc(cc3)N(C)C
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1)NC(=O)CN(Cc2ccc(cc2)C(=O)NO)C(=O)c3ccc(cc3)N(C)C

222624

건을2024-07-17부터공개중

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