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WPA : Summary
Code
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WPA
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One-letter code
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F
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Molecule name
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(betaR)-beta-methoxy-L-phenylalanine
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Systematic names
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Formula
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C10 H13 N O3
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Formal charge
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0
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Molecular weight
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195.215 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)C(N)C(OC)c1ccccc1 |
SMILES
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CACTVS |
3.370 |
CO[CH]([CH](N)C(O)=O)c1ccccc1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
COC(c1ccccc1)C(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.370 |
CO[C@@H]([C@H](N)C(O)=O)c1ccccc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CO[C@H](c1ccccc1)[C@@H](C(=O)O)N |
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IUPAC InChI | InChI=1S/C10H13NO3/c1-14-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9H,11H2,1H3,(H,12,13)/t8-,9+/m0/s1 |
IUPAC InChI key | KKXIHXAQVMPMHW-DTWKUNHWSA-N |
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wwPDB Information |
Atom count
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27 (14 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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2013-06-18
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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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