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O7D : Summary
Code ![](/pdbe/static/images/help.png)
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O7D
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One-letter code ![](/pdbe/static/images/help.png)
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W
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Molecule name ![](/pdbe/static/images/help.png)
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4-methoxy-N-methyl-L-tryptophan
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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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C13 H16 N2 O3
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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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248.278 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 |
CNC(Cc1cnc2cccc(c12)OC)C(=O)O |
SMILES
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CACTVS |
3.385 |
CN[CH](Cc1c[nH]c2cccc(OC)c12)C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CNC(Cc1c[nH]c2c1c(ccc2)OC)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
CN[C@@H](Cc1c[nH]c2cccc(OC)c12)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CN[C@@H](Cc1c[nH]c2c1c(ccc2)OC)C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H16N2O3/c1-14-10(13(16)17)6-8-7-15-9-4-3-5-11(18-2)12(8)9/h3-5,7,10,14-15H,6H2,1-2H3,(H,16,17)/t10-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JOAGQVMOKFVKHN-JTQLQIEISA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (18 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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TRP
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Defined at ![](/pdbe/static/images/help.png)
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2019-06-17
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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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