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5CR : Summary
Code
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5CR
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One-letter code
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F
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Molecule name
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N-acetyl-L-phenylalanine
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Systematic names
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Formula
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C11 H13 N O3
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Formal charge
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0
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Molecular weight
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207.226 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CC(=O)N[CH](Cc1ccccc1)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(=O)NC(Cc1ccccc1)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)N[C@@H](Cc1ccccc1)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(=O)N[C@@H](Cc1ccccc1)C(=O)O |
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IUPAC InChI | InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 |
IUPAC InChI key | CBQJSKKFNMDLON-JTQLQIEISA-N |
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wwPDB Information |
Atom count
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28 (15 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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Yes
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Standard parent
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PHE
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Defined at
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2015-10-12
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Last modified at
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2016-11-11
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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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