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1MM : Summary
Code
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1MM
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One-letter code
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X
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Molecule name
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METHYL 2-[({[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE
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Synonyms
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METSULFURON METHYL
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Systematic names
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Formula
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C14 H15 N5 O6 S
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Formal charge
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0
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Molecular weight
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381.364 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C |
SMILES
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CACTVS |
3.341 |
COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC |
Canonical SMILES
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CACTVS |
3.341 |
COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC |
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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 |
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wwPDB Information |
Atom count
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41 (26 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2004-07-01
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Last modified at
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2021-03-01
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Status
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Released
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Obsoleted
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Not Assigned
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