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3SB

Summary
Name:(2S)-2-amino-N'-[(1E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide
Formula:C16 H17 N3 O3
Formal charge:0
Formula weight:299.324 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2-amino-N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide
OpenEye OEToolkits1.7.0(2S)-2-azanyl-N-[(E)-(2,4-dihydroxy-6-methyl-phenyl)methylideneamino]-2-phenyl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N/N=C/c1c(cc(O)cc1O)C)C(c2ccccc2)N
SMILES_CANONICALCACTVS3.370Cc1cc(O)cc(O)c1/C=N/NC(=O)[C@@H](N)c2ccccc2
SMILESCACTVS3.370Cc1cc(O)cc(O)c1C=NNC(=O)[CH](N)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1cc(cc(c1/C=N/NC(=O)[C@H](c2ccccc2)N)O)O
SMILESOpenEye OEToolkits1.7.0Cc1cc(cc(c1C=NNC(=O)C(c2ccccc2)N)O)O
InChIInChI1.03InChI=1S/C16H17N3O3/c1-10-7-12(20)8-14(21)13(10)9-18-19-16(22)15(17)11-5-3-2-4-6-11/h2-9,15,20-21H,17H2,1H3,(H,19,22)/b18-9+/t15-/m0/s1
InChIKeyInChI1.03AZDBUHXHTHEIHT-UPAIAECRSA-N

223532

数据于2024-08-07公开中

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