L6K

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Summary

Name:(2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid
Formula:C16 H20 N2 O4
Formal charge:0
Molecular weight:304.341 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H20N2O4/c1-18-15(16(19)20)7-11-2-4-13(5-3-11)21-9-12-6-14(8-17)22-10-12/h2-6,10,15,18H,7-9,17H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyInChI1.03QGZKJFPEUIZHQR-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385CN[C@@H](Cc1ccc(OCc2coc(CN)c2)cc1)C(O)=O
SMILESCACTVS3.385CN[CH](Cc1ccc(OCc2coc(CN)c2)cc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CN[C@@H](Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O
SMILESOpenEye OEToolkits2.0.7CNC(Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O