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L59

Summary
Name:N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide
Formula:C19 H18 N2 O4
Formal charge:0
Formula weight:338.357 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide
OpenEye OEToolkits1.7.6N-[(2S,3R)-3-oxidanyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-(2-phenylethynyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(C(=O)NO)C(O)C)c2ccc(C#Cc1ccccc1)cc2
InChIInChI1.03InChI=1S/C19H18N2O4/c1-13(22)17(19(24)21-25)20-18(23)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-13,17,22,25H,1H3,(H,20,23)(H,21,24)/t13-,17+/m1/s1
InChIKeyInChI1.03SFYISUPIFOZKLQ-DYVFJYSZSA-N
SMILES_CANONICALCACTVS3.370C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc2ccccc2)C(=O)NO
SMILESCACTVS3.370C[CH](O)[CH](NC(=O)c1ccc(cc1)C#Cc2ccccc2)C(=O)NO
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccccc2)O
SMILESOpenEye OEToolkits1.7.6CC(C(C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccccc2)O

224931

건을2024-09-11부터공개중

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