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

WKZ

Summary

Name:	(4P)-4-{2-[4-(1H-imidazol-1-yl)phenyl]-5-[3-oxo-3-(2-oxo-1,3-thiazolidin-3-yl)propyl]-1H-pyrrol-1-yl}-3-methylbenzamide
Formula:	C27 H25 N5 O3 S
Formal charge:	0
Formula weight:	499.584 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4P)-4-{2-[4-(1H-imidazol-1-yl)phenyl]-5-[3-oxo-3-(2-oxo-1,3-thiazolidin-3-yl)propyl]-1H-pyrrol-1-yl}-3-methylbenzamide
OpenEye OEToolkits	2.0.7	4-[2-(4-imidazol-1-ylphenyl)-5-[3-oxidanylidene-3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propyl]pyrrol-1-yl]-3-methyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1SCCN1C(=O)CCc1ccc(c2ccc(cc2)n2ccnc2)n1c1ccc(cc1C)C(N)=O
InChI	InChI	1.06	InChI=1S/C27H25N5O3S/c1-18-16-20(26(28)34)4-9-23(18)32-22(8-11-25(33)31-14-15-36-27(31)35)7-10-24(32)19-2-5-21(6-3-19)30-13-12-29-17-30/h2-7,9-10,12-13,16-17H,8,11,14-15H2,1H3,(H2,28,34)
InChIKey	InChI	1.06	RXCKIKOJUHFVSP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(ccc1n2c(CCC(=O)N3CCSC3=O)ccc2c4ccc(cc4)n5ccnc5)C(N)=O
SMILES	CACTVS	3.385	Cc1cc(ccc1n2c(CCC(=O)N3CCSC3=O)ccc2c4ccc(cc4)n5ccnc5)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1n2c(ccc2c3ccc(cc3)n4ccnc4)CCC(=O)N5CCSC5=O)C(=O)N
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1n2c(ccc2c3ccc(cc3)n4ccnc4)CCC(=O)N5CCSC5=O)C(=O)N

223532

PDB entries from 2024-08-07

PDB statistics

PDBj update info

Contact PDBj

numon