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

WFZ

Summary

Name:	2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid
Formula:	C16 H12 N4 O4 S2
Formal charge:	0
Formula weight:	388.421 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C16H12N4O4S2/c1-7(17)13-19-10(5-25-13)12-8(15(21)22)3-4-9(18-12)14-20-11(6-26-14)16(23)24-2/h3-6H,1,17H2,2H3,(H,21,22)
InChIKey	InChI	1.06	FUUBBTGWWUXAJF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COC(=O)c1csc(n1)c2ccc(C(O)=O)c(n2)c3csc(n3)C(N)=C
SMILES	CACTVS	3.385	COC(=O)c1csc(n1)c2ccc(C(O)=O)c(n2)c3csc(n3)C(N)=C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COC(=O)c1csc(n1)c2ccc(c(n2)c3csc(n3)C(=C)N)C(=O)O
SMILES	OpenEye OEToolkits	2.0.7	COC(=O)c1csc(n1)c2ccc(c(n2)c3csc(n3)C(=C)N)C(=O)O

219869

PDB entries from 2024-05-15

PDB statistics

PDBj update info

Contact PDBj

numon