(2R)-2-[2-[(1S)-1-azaniumyl-3-methyl-butyl]benzimidazol-1-yl]propanoate

Systemtic Name: (2R)-2-[2-[(1S)-1-azaniumyl-3-methyl-butyl]benzimidazol-1-yl]propanoate Openeye Name: (2R)-2-[2-[(1S)-1-azaniumyl-3-methyl-butyl]benzimidazol-1-yl]propanoate CAS Name: (2R)-2-[2-[(1S)-1-ammonio-3-methylbutyl]-1-benzimidazolyl]propanoate IUPAC Name: (2R)-2-[2-[(1S)-1-azaniumyl-3-methylbutyl]benzimidazol-1-yl]propanoate Traditional Name: (2R)-2-[2-[(1S)-1-ammonio-3-methyl-butyl]benzimidazol-1-yl]propionate Formula: C15H21N3O2 MolecularWeight: 275.34614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NC2=CC=CC=C2N1C(C)C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@H](C(=O)[O-])N1C2=CC=CC=C2N=C1[C@H](CC(C)C)[NH3+]

InChI

InChI=1S/C15H21N3O2/c1-9(2)8-11(16)14-17-12-6-4-5-7-13(12)18(14)10(3)15(19)20/h4-7,9-11H,8,16H2,1-3H3,(H,19,20)/t10-,11+/m1/s1