GIA

3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine

Created:2009-07-07
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count1
Bond Count43
Aromatic Bond Count17
2D diagram of GIA

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Chemical Component Summary

Name3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine
Systematic Name (OpenEye OEToolkits)(2R)-3-(3-fluorophenyl)-2-(naphthalen-2-ylcarbonylamino)propanoic acid
FormulaC20 H16 F N O3
Molecular Weight337.344
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cc(ccc1)CC(C(=O)O)NC(=O)c3cc2ccccc2cc3
SMILESCACTVS3.341OC(=O)[CH](Cc1cccc(F)c1)NC(=O)c2ccc3ccccc3c2
SMILESOpenEye OEToolkits1.5.0c1ccc2cc(ccc2c1)C(=O)NC(Cc3cccc(c3)F)C(=O)O
Canonical SMILESCACTVS3.341 OC(=O)[C@@H](Cc1cccc(F)c1)NC(=O)c2ccc3ccccc3c2
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3cccc(c3)F)C(=O)O
InChIInChI1.03 InChI=1S/C20H16FNO3/c21-17-7-3-4-13(10-17)11-18(20(24)25)22-19(23)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2,(H,22,23)(H,24,25)/t18-/m1/s1
InChIKeyInChI1.03 JVSARVOIIXAOKH-GOSISDBHSA-N

Related Resource References

Resource NameReference
PubChem 45114305
ChEMBL CHEMBL1090719