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BJF

Summary
Name:{2-[(1S)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1H-imidazol-1-yl}acetic acid
Synonyms:CHROMOPHORE (LEU-LEU-GLY)
Formula:C14 H25 N3 O3
Formal charge:0
Formula weight:283.367 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{2-[(1S)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1H-imidazol-1-yl}acetic acid
OpenEye OEToolkits2.0.62-[2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-(2-methylpropyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1c(CC(C)C)nc(C(N)CC(C)C)n1CC(O)=O
InChIInChI1.03InChI=1S/C14H25N3O3/c1-8(2)5-10(15)13-16-11(6-9(3)4)14(20)17(13)7-12(18)19/h8-10,20H,5-7,15H2,1-4H3,(H,18,19)/t10-/m0/s1
InChIKeyInChI1.03ZLWZOWAVQYOHMA-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385CC(C)C[C@H](N)c1nc(CC(C)C)c(O)n1CC(O)=O
SMILESCACTVS3.385CC(C)C[CH](N)c1nc(CC(C)C)c(O)n1CC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)Cc1c(n(c(n1)[C@H](CC(C)C)N)CC(=O)O)O
SMILESOpenEye OEToolkits2.0.6CC(C)Cc1c(n(c(n1)C(CC(C)C)N)CC(=O)O)O

217705

数据于2024-03-27公开中

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