CH6

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Summary

Name:{(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Synonyms:CHROMOPHORE (MET-TYR-GLY)
Formula:C16 H19 N3 O4 S
Formal charge:0
Molecular weight:349.405 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04{(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
OpenEye OEToolkits1.5.02-[(4Z)-2-[(1S)-1-amino-3-methylsulfanyl-propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-1-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C(\N=C(N1CC(=O)O)C(N)CCSC)=C\c2ccc(O)cc2
SMILES_CANONICALCACTVS3.341CSCC[C@H](N)C1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O
SMILESCACTVS3.341CSCC[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CSCC[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N
SMILESOpenEye OEToolkits1.5.0CSCCC(C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O)N
InChIInChI1.03InChI=1S/C16H19N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,12,20H,6-7,9,17H2,1H3,(H,21,22)/b13-8-/t12-/m0/s1
InChIKeyInChI1.03NRAOUAPLRQEFMH-OEMOTLHWSA-N