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Summary Geometry Related PDB entries

A1A6L

Summary

Name:	N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(2-ethylhydrazine-1-carbonyl)phenyl]methyl}benzamide
Formula:	C28 H33 N5 O3
Formal charge:	0
Formula weight:	487.593 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(2-ethylhydrazine-1-carbonyl)phenyl]methyl}benzamide
OpenEye OEToolkits	2.0.7	4-(dimethylamino)-~{N}-[[4-(ethylaminocarbamoyl)phenyl]methyl]-~{N}-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CN(C)c1ccc(cc1)C(=O)N(Cc1ccc(cc1)C(=O)NNCC)CC(=O)NCc1ccccc1
InChI	InChI	1.06	InChI=1S/C28H33N5O3/c1-4-30-31-27(35)23-12-10-22(11-13-23)19-33(20-26(34)29-18-21-8-6-5-7-9-21)28(36)24-14-16-25(17-15-24)32(2)3/h5-17,30H,4,18-20H2,1-3H3,(H,29,34)(H,31,35)
InChIKey	InChI	1.06	CEUILOOLSJTSTF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCNNC(=O)c1ccc(CN(CC(=O)NCc2ccccc2)C(=O)c3ccc(cc3)N(C)C)cc1
SMILES	CACTVS	3.385	CCNNC(=O)c1ccc(CN(CC(=O)NCc2ccccc2)C(=O)c3ccc(cc3)N(C)C)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCNNC(=O)c1ccc(cc1)CN(CC(=O)NCc2ccccc2)C(=O)c3ccc(cc3)N(C)C
SMILES	OpenEye OEToolkits	2.0.7	CCNNC(=O)c1ccc(cc1)CN(CC(=O)NCc2ccccc2)C(=O)c3ccc(cc3)N(C)C

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