F7W

7-Fluorotryptophan

Created:2017-06-09
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count1
Bond Count28
Aromatic Bond Count10
2D diagram of F7W

Chemical Component Summary

Name7-Fluorotryptophan
Systematic Name (OpenEye OEToolkits)(2~{S})-2-azanyl-3-(7-fluoranyl-1~{H}-indol-3-yl)propanoic acid
FormulaC11 H11 F N2 O2
Molecular Weight222.216
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385N[CH](Cc1c[nH]c2c(F)cccc12)C(O)=O
SMILESOpenEye OEToolkits2.0.6c1cc2c(c[nH]c2c(c1)F)CC(C(=O)O)N
Canonical SMILESCACTVS3.385 N[C@@H](Cc1c[nH]c2c(F)cccc12)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc2c(c[nH]c2c(c1)F)C[C@@H](C(=O)O)N
InChIInChI1.03 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
InChIKeyInChI1.03 ADMHYWIKJSPIGJ-VIFPVBQESA-N

Related Resource References

Resource NameReference
PubChem 15930148
ChEMBL CHEMBL145559