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T15

Summary
Name:2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2H)-yl}-N-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1H-imidazol-5-yl}methyl)acetamide
Formula:C26 H34 N6 O5 S
Formal charge:0
Formula weight:542.65 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2H)-yl}-N-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1H-imidazol-5-yl}methyl)acetamide
OpenEye OEToolkits1.5.0N-[[3-[2-(tert-butylamino)-2-oxo-ethyl]-5-methyl-imidazol-4-yl]methyl]-2-[6-methyl-2-oxo-3-(phenylmethylsulfonylamino)pyridin-1-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NC(C)(C)C)Cn1c(c(nc1)C)CNC(=O)CN3C(=CC=C(NS(=O)(=O)Cc2ccccc2)C3=O)C
SMILES_CANONICALCACTVS3.341CC1=CC=C(N[S](=O)(=O)Cc2ccccc2)C(=O)N1CC(=O)NCc3n(CC(=O)NC(C)(C)C)cnc3C
SMILESCACTVS3.341CC1=CC=C(N[S](=O)(=O)Cc2ccccc2)C(=O)N1CC(=O)NCc3n(CC(=O)NC(C)(C)C)cnc3C
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c(n(cn1)CC(=O)NC(C)(C)C)CNC(=O)CN2C(=CC=C(C2=O)NS(=O)(=O)Cc3ccccc3)C
SMILESOpenEye OEToolkits1.5.0Cc1c(n(cn1)CC(=O)NC(C)(C)C)CNC(=O)CN2C(=CC=C(C2=O)NS(=O)(=O)Cc3ccccc3)C
InChIInChI1.03InChI=1S/C26H34N6O5S/c1-18-11-12-21(30-38(36,37)16-20-9-7-6-8-10-20)25(35)32(18)15-23(33)27-13-22-19(2)28-17-31(22)14-24(34)29-26(3,4)5/h6-12,17,30H,13-16H2,1-5H3,(H,27,33)(H,29,34)
InChIKeyInChI1.03JIBFIIUWYBXSQB-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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