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TDZ : Summary
Code 
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TDZ
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One-letter code
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X
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Molecule name
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(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE
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Synonyms
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TROGLITAZONE
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Systematic names
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Formula
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C24 H27 N O5 S
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Formal charge
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0
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Molecular weight
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441.54 Da
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SMILES
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| Type | Program | Version | Descriptor |
|---|
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SMILES
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ACDLabs |
10.04 |
O=C1NC(=O)SC1Cc4ccc(OCC3(Oc2c(c(c(O)c(c2CC3)C)C)C)C)cc4 |
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SMILES
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CACTVS |
3.341 |
Cc1c(C)c2O[C](C)(CCc2c(C)c1O)COc3ccc(C[CH]4SC(=O)NC4=O)cc3 |
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SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1c(c2c(c(c1O)C)CCC(O2)(C)COc3ccc(cc3)CC4C(=O)NC(=O)S4)C |
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Canonical SMILES
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CACTVS |
3.341 |
Cc1c(C)c2O[C@](C)(CCc2c(C)c1O)COc3ccc(C[C@H]4SC(=O)NC4=O)cc3 |
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Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@@H]4C(=O)NC(=O)S4)C |
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IUPAC InChI | InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24-/m1/s1 |
IUPAC InChI key | GXPHKUHSUJUWKP-NTKDMRAZSA-N |
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wwPDB Information |
Atom count
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58 (31 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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2007-07-20
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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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Protein Data Bank 
