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NIY

Summary
Name:META-NITRO-TYROSINE
Formula:C9 H10 N2 O5
Formal charge:0
Formula weight:226.186 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-nitro-L-tyrosine
OpenEye OEToolkits1.5.0(2S)-2-amino-3-(4-hydroxy-3-nitro-phenyl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=[N+]([O-])c1cc(ccc1O)CC(C(=O)O)N
SMILES_CANONICALCACTVS3.341N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O
SMILESCACTVS3.341N[CH](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1CC(C(=O)O)N)[N+](=O)[O-])O
InChIInChI1.03InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1
InChIKeyInChI1.03FBTSQILOGYXGMD-LURJTMIESA-N

227344

건을2024-11-13부터공개중

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