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0UO : Summary
Code
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0UO
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One-letter code
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W
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Molecule name
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4-methoxy-L-tryptophan
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Systematic names
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Formula
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C12 H14 N2 O3
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Formal charge
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0
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Molecular weight
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234.251 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)Cc2c1c(cccc1OC)nc2 |
SMILES
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CACTVS |
3.370 |
COc1cccc2[nH]cc(C[CH](N)C(O)=O)c12 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
COc1cccc2c1c(c[nH]2)CC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.370 |
COc1cccc2[nH]cc(C[C@H](N)C(O)=O)c12 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
COc1cccc2c1c(c[nH]2)C[C@@H](C(=O)O)N |
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IUPAC InChI | InChI=1S/C12H14N2O3/c1-17-10-4-2-3-9-11(10)7(6-14-9)5-8(13)12(15)16/h2-4,6,8,14H,5,13H2,1H3,(H,15,16)/t8-/m0/s1 |
IUPAC InChI key | VYXPKRIKQJEAOO-QMMMGPOBSA-N |
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wwPDB Information |
Atom count
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31 (17 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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peptide-like
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Type code
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HETAIN
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Is modified
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Yes
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Standard parent
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TRP
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Defined at
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2012-06-20
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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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