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PYL : Summary
Code 
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PYL
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One-letter code 
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O
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Molecule name 
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PYRROLYSINE
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Systematic names 
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Formula 
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C12 H21 N3 O3
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Formal charge 
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0
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Molecular weight 
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255.313 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(NCCCCC(C(=O)O)N)C1N=CCC1C |
SMILES
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CACTVS |
3.385 |
C[CH]1CC=N[CH]1C(=O)NCCCC[CH](N)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1CC=NC1C(=O)NCCCCC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.385 |
C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H](N)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N |
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IUPAC InChI  | InChI=1S/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)/t8-,9+,10-/m1/s1 |
IUPAC InChI key  | ZFOMKMMPBOQKMC-KXUCPTDWSA-N |
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wwPDB Information |
Atom count 
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39 (18 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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ATOMP
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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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1999-07-08
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Last modified at 
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2014-07-17
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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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