English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

NG9

Summary

Name:	2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C24 H35 Cl2 N3 O3
Formal charge:	0
Formula weight:	484.459 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C24H35Cl2N3O3/c1-22(2)15-24(16-23(3,4)32-22,28-19-7-5-18(26)6-8-19)21(31)29-11-9-17(10-12-29)14-27-20(30)13-25/h5-8,17,28H,9-16H2,1-4H3,(H,27,30)
InChIKey	InChI	1.06	OGBRCEYKNZIXFY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1(C)CC(CC(C)(C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl
SMILES	CACTVS	3.385	CC1(C)CC(CC(C)(C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1(CC(CC(O1)(C)C)(C(=O)N2CCC(CC2)CNC(=O)CCl)Nc3ccc(cc3)Cl)C
SMILES	OpenEye OEToolkits	2.0.7	CC1(CC(CC(O1)(C)C)(C(=O)N2CCC(CC2)CNC(=O)CCl)Nc3ccc(cc3)Cl)C

222415

PDB entries from 2024-07-10

PDB statistics

PDBj update info

Contact PDBj

numon