F7W
7-Fluorotryptophan
Created: | 2017-06-09 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 27 |
Chiral Atom Count | 1 |
Bond Count | 28 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 7-Fluorotryptophan |
Systematic Name (OpenEye OEToolkits) | (2~{S})-2-azanyl-3-(7-fluoranyl-1~{H}-indol-3-yl)propanoic acid |
Formula | C11 H11 F N2 O2 |
Molecular Weight | 222.216 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | N[CH](Cc1c[nH]c2c(F)cccc12)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(c[nH]c2c(c1)F)CC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.385 | N[C@@H](Cc1c[nH]c2c(F)cccc12)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(c[nH]c2c(c1)F)C[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C11H11FN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1 |
InChIKey | InChI | 1.03 | ADMHYWIKJSPIGJ-VIFPVBQESA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 15930148 |
ChEMBL | CHEMBL145559 |