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ZU6

Summary
Name:3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid
Formula:C14 H15 N3 O4
Formal charge:0
Formula weight:289.287 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid
OpenEye OEToolkits2.0.73-[3-[2-(methylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-quinazolin-2-yl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NC
InChIInChI1.06InChI=1S/C14H15N3O4/c1-15-12(18)8-17-11(6-7-13(19)20)16-10-5-3-2-4-9(10)14(17)21/h2-5H,6-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyInChI1.06DEMTVGMQPPAESO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNC(=O)CN1C(=O)c2ccccc2N=C1CCC(O)=O
SMILESCACTVS3.385CNC(=O)CN1C(=O)c2ccccc2N=C1CCC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CNC(=O)CN1C(=Nc2ccccc2C1=O)CCC(=O)O
SMILESOpenEye OEToolkits2.0.7CNC(=O)CN1C(=Nc2ccccc2C1=O)CCC(=O)O

223532

건을2024-08-07부터공개중

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