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MF3 : Summary
Code ![](/pdbe/static/images/help.png)
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MF3
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C5 H8 F3 N O2 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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203.183 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
FC(F)(F)SCCC(N)C(=O)O |
SMILES
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CACTVS |
3.341 |
N[CH](CCSC(F)(F)F)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CSC(F)(F)F)C(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H](CCSC(F)(F)F)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CSC(F)(F)F)[C@@H](C(=O)O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | YLJLTSVBCXYTQK-VKHMYHEASA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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20 (12 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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L-PEPTIDE LINKING
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Type code ![](/pdbe/static/images/help.png)
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ATOMP
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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UNK
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Defined at ![](/pdbe/static/images/help.png)
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1999-07-27
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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