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I58 : Summary
Code
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I58
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One-letter code
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K
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Molecule name
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4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE
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Systematic names
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Formula
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C8 H16 F N3 O2
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Formal charge
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0
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Molecular weight
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205.23 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
FC(CCNC(=[N@H])C)CC(N)C(=O)O |
SMILES
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CACTVS |
3.341 |
CC(=N)NCC[CH](F)C[CH](N)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
[H]N=C(C)NCCC(CC(C(=O)O)N)F |
Canonical SMILES
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CACTVS |
3.341 |
CC(=N)NCC[C@@H](F)C[C@H](N)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
[H]/N=C(/C)\NCC[C@H](C[C@@H](C(=O)O)N)F |
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IUPAC InChI | InChI=1S/C8H16FN3O2/c1-5(10)12-3-2-6(9)4-7(11)8(13)14/h6-7H,2-4,11H2,1H3,(H2,10,12)(H,13,14)/t6-,7+/m1/s1 |
IUPAC InChI key | LTCJJIZTKXNFGK-RQJHMYQMSA-N |
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wwPDB Information |
Atom count
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30 (14 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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L-PEPTIDE LINKING
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Type code
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ATOMP
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Is modified
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Yes
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Standard parent
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LYS
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Defined at
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2003-10-28
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Last modified at
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2011-06-04
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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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