LBZ

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Summary

Name:(2~{S})-2-azanyl-6-benzamido-hexanoic acid
Formula:C13 H18 N2 O3
Formal charge:0
Molecular weight:250.294 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S})-2-azanyl-6-benzamido-hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H18N2O3/c14-11(13(17)18)8-4-5-9-15-12(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,14H2,(H,15,16)(H,17,18)/t11-/m0/s1
InChIKeyInChI1.03KODLJWKGAKBGOB-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385N[C@@H](CCCCNC(=O)c1ccccc1)C(O)=O
SMILESCACTVS3.385N[CH](CCCCNC(=O)c1ccccc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)C(=O)NCCCC[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)C(=O)NCCCCC(C(=O)O)N
171916
PDB entries from 2020-12-02