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GIA

Summary
Name:3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine
Formula:C20 H16 F N O3
Formal charge:0
Formula weight:337.344 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine
OpenEye OEToolkits1.5.0(2R)-3-(3-fluorophenyl)-2-(naphthalen-2-ylcarbonylamino)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cc(ccc1)CC(C(=O)O)NC(=O)c3cc2ccccc2cc3
SMILES_CANONICALCACTVS3.341OC(=O)[C@@H](Cc1cccc(F)c1)NC(=O)c2ccc3ccccc3c2
SMILESCACTVS3.341OC(=O)[CH](Cc1cccc(F)c1)NC(=O)c2ccc3ccccc3c2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3cccc(c3)F)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2cc(ccc2c1)C(=O)NC(Cc3cccc(c3)F)C(=O)O
InChIInChI1.03InChI=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
InChIKeyInChI1.03JVSARVOIIXAOKH-GOSISDBHSA-N

220113

PDB entries from 2024-05-22

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