1TB

METHYL 2-[4-METHOXY-6-METHYL-1,3,5-TRAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL]BENZOATE

Created:	2004-07-01
Last modified:	2021-03-01

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3 entries where 1TB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	12

2D diagram of 1TB

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Chemical Component Summary
Name	METHYL 2-[4-METHOXY-6-METHYL-1,3,5-TRAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL]BENZOATE
Synonyms	TRIBENURON METHYL
Systematic Name (OpenEye OEToolkits)	methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methyl-carbamoyl]sulfamoyl]benzoate
Formula	C₁₅ H₁₇ N₅ O₆ S
Molecular Weight	395.39
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC)c1ccccc1S(=O)(=O)NC(=O)N(c2nc(nc(OC)n2)C)C
SMILES	CACTVS	3.341	COC(=O)c1ccccc1[S](=O)(=O)NC(=O)N(C)c2nc(C)nc(OC)n2
SMILES	OpenEye OEToolkits	1.5.0	Cc1nc(nc(n1)OC)N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC
Canonical SMILES	CACTVS	3.341	COC(=O)c1ccccc1[S](=O)(=O)NC(=O)N(C)c2nc(C)nc(OC)n2
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1nc(nc(n1)OC)N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC
InChI	InChI	1.03	InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
InChIKey	InChI	1.03	VLCQZHSMCYCDJL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03656
Name	Tribenuron Methyl
Groups	experimental
Synonyms	Tribenuron-methyl Sulfmethmeton-methyl Tribenuron methyl ester Tribenuron Methyl
Categories	Arylsulfonic Acids Sulfonic Acids Sulfur Acids Sulfur Compounds
CAS number	101200-48-0

Related Resource References

Resource Name	Reference
PubChem	153909
ChEMBL	CHEMBL1229780
ChEBI	CHEBI:9678

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.