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0A9 : Summary
Code ![](/pdbe/static/images/help.png)
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0A9
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One-letter code ![](/pdbe/static/images/help.png)
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F
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Molecule name ![](/pdbe/static/images/help.png)
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methyl L-phenylalaninate
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C10 H13 N O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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179.216 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(OC)C(N)Cc1ccccc1 |
SMILES
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CACTVS |
3.370 |
COC(=O)[CH](N)Cc1ccccc1 |
SMILES
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OpenEye OEToolkits |
1.7.0 |
COC(=O)C(Cc1ccccc1)N |
Canonical SMILES
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CACTVS |
3.370 |
COC(=O)[C@@H](N)Cc1ccccc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
COC(=O)[C@H](Cc1ccccc1)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VSDUZFOSJDMAFZ-VIFPVBQESA-N |
Is part of ![](/pdbe/static/images/help.png) |
0E7
, 0HT
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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26 (13 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Amino Acid
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Type description ![](/pdbe/static/images/help.png)
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L-PEPTIDE LINKING
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Type code ![](/pdbe/static/images/help.png)
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ATOMP
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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PHE
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Defined at ![](/pdbe/static/images/help.png)
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2007-11-09
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Last modified at ![](/pdbe/static/images/help.png)
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2023-11-03
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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