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Summary Geometry Related PDB entries

WQ3

Summary

Name:	2-{[(2M)-5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Formula:	C16 H14 Cl N3 O4
Formal charge:	0
Formula weight:	347.753 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-{[(2M)-5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
OpenEye OEToolkits	2.0.7	2-[[5-chloranyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nc(on1)c1ccc(Cl)cc1NC(=O)C=1CCCC=1C(=O)O
InChI	InChI	1.06	InChI=1S/C16H14ClN3O4/c1-8-18-15(24-20-8)12-6-5-9(17)7-13(12)19-14(21)10-3-2-4-11(10)16(22)23/h5-7H,2-4H2,1H3,(H,19,21)(H,22,23)
InChIKey	InChI	1.06	ITTMFAALHYWDBB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1noc(n1)c2ccc(Cl)cc2NC(=O)C3=C(CCC3)C(O)=O
SMILES	CACTVS	3.385	Cc1noc(n1)c2ccc(Cl)cc2NC(=O)C3=C(CCC3)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1nc(on1)c2ccc(cc2NC(=O)C3=C(CCC3)C(=O)O)Cl
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(on1)c2ccc(cc2NC(=O)C3=C(CCC3)C(=O)O)Cl

222415

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