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3II

Summary
Name:N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide
Formula:C32 H34 Cl2 N4 O5
Formal charge:0
Formula weight:625.542 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide
OpenEye OEToolkits1.6.1N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,4-dimethoxyphenyl)carbonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02Clc1ccc(c(Cl)c1)CCNC(=O)CN3C(=O)C5(N(c2ccccc2)C3)CCN(C(=O)c4ccc(OC)cc4OC)CC5
SMILES_CANONICALCACTVS3.352COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc4ccc(Cl)cc4Cl)C3=O)c5ccccc5)c(OC)c1
SMILESCACTVS3.352COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc4ccc(Cl)cc4Cl)C3=O)c5ccccc5)c(OC)c1
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1ccc(c(c1)OC)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCCc5ccc(cc5Cl)Cl
SMILESOpenEye OEToolkits1.7.0COc1ccc(c(c1)OC)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCCc5ccc(cc5Cl)Cl
InChIInChI1.03InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)
InChIKeyInChI1.03TWOVSEVREOPZGM-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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