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Summary Geometry Related PDB entries

GZM

Summary

Name:	4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide
Formula:	C24 H28 Cl2 N2 O3
Formal charge:	0
Formula weight:	463.397 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide
OpenEye OEToolkits	2.0.7	4-[[4-[3,5-bis(chloranyl)phenyl]phenyl]methyl]-~{N}-ethyl-1-(2-methoxyethanoyl)piperidine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(COC)N1CCC(Cc2ccc(cc2)c2cc(Cl)cc(Cl)c2)(CC1)C(=O)NCC
InChI	InChI	1.03	InChI=1S/C24H28Cl2N2O3/c1-3-27-23(30)24(8-10-28(11-9-24)22(29)16-31-2)15-17-4-6-18(7-5-17)19-12-20(25)14-21(26)13-19/h4-7,12-14H,3,8-11,15-16H2,1-2H3,(H,27,30)
InChIKey	InChI	1.03	CRYYCXAJUDVWAO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(Cl)cc(Cl)c3
SMILES	CACTVS	3.385	CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(Cl)cc(Cl)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(cc(c3)Cl)Cl
SMILES	OpenEye OEToolkits	2.0.7	CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(cc(c3)Cl)Cl

221051

PDB entries from 2024-06-12

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