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C48

Summary
Name:N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-ETHYL)-SUCCINAMIDE
Formula:C22 H26 N4 O4
Formal charge:0
Formula weight:410.466 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N~1~-[(1S)-1-benzyl-2-(dimethylamino)-2-oxoethyl]-2-oxo-N~4~-(2-pyridin-2-ylethyl)butanediamide
OpenEye OEToolkits1.5.0N-[(2S)-1-dimethylamino-1-oxo-3-phenyl-propan-2-yl]-2-oxo-N'-(2-pyridin-2-ylethyl)butanediamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N(C)C)C(NC(=O)C(=O)CC(=O)NCCc1ncccc1)Cc2ccccc2
SMILES_CANONICALCACTVS3.341CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2
SMILESCACTVS3.341CN(C)C(=O)[CH](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2
SMILES_CANONICALOpenEye OEToolkits1.5.0CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2
SMILESOpenEye OEToolkits1.5.0CN(C)C(=O)C(Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2
InChIInChI1.03InChI=1S/C22H26N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-/m0/s1
InChIKeyInChI1.03ZPFPZRVOBBMZMP-SFHVURJKSA-N

225158

PDB entries from 2024-09-18

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