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58J

Summary
Name:4-Methoxydehydrocyclopeptin
Formula:C18 H16 N2 O3
Formal charge:0
Formula weight:308.331 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3Z)-3-(4-methoxybenzylidene)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
OpenEye OEToolkits1.9.2(3Z)-3-[(4-methoxyphenyl)methylidene]-4-methyl-1H-1,4-benzodiazepine-2,5-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C2(N(/C(=C\c1ccc(cc1)OC)C(=O)Nc3c2cccc3)C)=O
InChIInChI1.03InChI=1S/C18H16N2O3/c1-20-16(11-12-7-9-13(23-2)10-8-12)17(21)19-15-6-4-3-5-14(15)18(20)22/h3-11H,1-2H3,(H,19,21)/b16-11-
InChIKeyInChI1.03MWFWGXGLRBDFOQ-WJDWOHSUSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)/C=C/2N(C)C(=O)c3ccccc3NC/2=O
SMILESCACTVS3.385COc1ccc(cc1)C=C2N(C)C(=O)c3ccccc3NC2=O
SMILES_CANONICALOpenEye OEToolkits1.9.2CN1/C(=C\c2ccc(cc2)OC)/C(=O)Nc3ccccc3C1=O
SMILESOpenEye OEToolkits1.9.2CN1C(=Cc2ccc(cc2)OC)C(=O)Nc3ccccc3C1=O

218853

PDB entries from 2024-04-24

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