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FLT : Summary
Code
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FLT
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One-letter code
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Y
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Molecule name
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FLUOROMALONYL TYROSINE
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Systematic names
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Formula
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C12 H12 F N O7
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Formal charge
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0
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Molecular weight
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301.225 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
FC(Oc1ccc(cc1)CC(C(=O)O)N)(C(=O)O)C(=O)O |
SMILES
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CACTVS |
3.341 |
N[CH](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1CC(C(=O)O)N)OC(C(=O)O)(C(=O)O)F |
Canonical SMILES
|
CACTVS |
3.341 |
N[C@@H](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C[C@@H](C(=O)O)N)OC(C(=O)O)(C(=O)O)F |
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IUPAC InChI | InChI=1S/C12H12FNO7/c13-12(10(17)18,11(19)20)21-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)(H,17,18)(H,19,20)/t8-/m0/s1 |
IUPAC InChI key | AXIAXCQZCZMCQW-QMMMGPOBSA-N |
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wwPDB Information |
Atom count
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33 (21 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-PEPTIDE LINKING
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Type code
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HETAIN
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Is modified
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Yes
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Standard parent
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TYR
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Defined at
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1999-08-25
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Last modified at
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2023-11-03
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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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