0FG

?

Summary

Name:D-leucyl-N-(4-fluorobenzyl)-L-phenylalaninamide
Formula:C22 H28 F N3 O2
Formal charge:0
Molecular weight:385.475 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01D-leucyl-N-(4-fluorobenzyl)-L-phenylalaninamide
OpenEye OEToolkits1.7.0(2R)-2-azanyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxo-3-phenyl-propan-2-yl]-4-methyl-pentanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccc(cc1)CNC(=O)C(NC(=O)C(N)CC(C)C)Cc2ccccc2
SMILES_CANONICALCACTVS3.370CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc2ccc(F)cc2
SMILESCACTVS3.370CC(C)C[CH](N)C(=O)N[CH](Cc1ccccc1)C(=O)NCc2ccc(F)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc2ccc(cc2)F)N
SMILESOpenEye OEToolkits1.7.0CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)NCc2ccc(cc2)F)N
InChIInChI1.03InChI=1S/C22H28FN3O2/c1-15(2)12-19(24)21(27)26-20(13-16-6-4-3-5-7-16)22(28)25-14-17-8-10-18(23)11-9-17/h3-11,15,19-20H,12-14,24H2,1-2H3,(H,25,28)(H,26,27)/t19-,20+/m1/s1
InChIKeyInChI1.03BCQKEAUFNXECKN-UXHICEINSA-N