Chemical Components in the PDB

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1MM : Summary

Code

1MM

One-letter code

X

Molecule name

METHYL 2-[({[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE

Synonyms

METSULFURON METHYL

Systematic names

ProgramVersionName
ACDLabs 10.04 methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate
OpenEye OEToolkits 1.5.0 methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate

Formula

C14 H15 N5 O6 S

Formal charge

0

Molecular weight

381.364 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C
SMILES CACTVS 3.341 COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2
SMILES OpenEye OEToolkits 1.5.0 Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC
Canonical SMILES CACTVS 3.341 COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC

IUPAC InChI

InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)

IUPAC InChI key

RSMUVYRMZCOLBH-UHFFFAOYSA-N
1MM

wwPDB Information

Atom count

41 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-07-01

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned