(2R)-2-[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]propanoate

Systemtic Name: (2R)-2-[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]propanoate Openeye Name: (2R)-2-[2-[(1S)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]propanoate CAS Name: (2R)-2-[2-[(1S)-1-ammonio-3-(methylthio)propyl]-1-benzimidazolyl]propanoate IUPAC Name: (2R)-2-[2-[(1S)-1-azaniumyl-3-methylsulfanylpropyl]benzimidazol-1-yl]propanoate Traditional Name: (2R)-2-[2-[(1S)-1-ammonio-3-(methylthio)propyl]benzimidazol-1-yl]propionate Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C2=CC=CC=C2N=C1C(CCSC)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c1-9(14(18)19)17-12-6-4-3-5-11(12)16-13(17)10(15)7-8-20-2/h3-6,9-10H,7-8,15H2,1-2H3,(H,18,19)/t9-,10+/m1/s1