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88G

Summary
Name:Nalpha-(benzenecarbonyl)-N-(2-methylphenyl)-D-phenylalaninamide
Formula:C23 H22 N2 O2
Formal charge:0
Formula weight:358.433 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01Nalpha-(benzenecarbonyl)-N-(2-methylphenyl)-D-phenylalaninamide
OpenEye OEToolkits2.0.6~{N}-[(2~{R})-1-[(2-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3
InChIInChI1.03InChI=1S/C23H22N2O2/c1-17-10-8-9-15-20(17)24-23(27)21(16-18-11-4-2-5-12-18)25-22(26)19-13-6-3-7-14-19/h2-15,21H,16H2,1H3,(H,24,27)(H,25,26)/t21-/m1/s1
InChIKeyInChI1.03BMOOQDWJJBWBKZ-OAQYLSRUSA-N
SMILES_CANONICALCACTVS3.385Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccccc3
SMILESCACTVS3.385Cc1ccccc1NC(=O)[CH](Cc2ccccc2)NC(=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccccc3
SMILESOpenEye OEToolkits2.0.6Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3

224931

PDB entries from 2024-09-11

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