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Summary

Name: 4-methylisoleucine
Synonyms:2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid
Formula:C7 H15 N O2
Formal charge:0
Molecular weight:145.199 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6-/m0/s1
InChIKeyInChI1.03VFEDCKXLINRKLV-WDSKDSINSA-N
SMILES_CANONICALCACTVS3.385CC(C)[C@H](C)[C@H](N)C(O)=O
SMILESCACTVS3.385CC(C)[CH](C)[CH](N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H]([C@@H](C(=O)O)N)C(C)C
SMILESOpenEye OEToolkits2.0.7CC(C)C(C)C(C(=O)O)N