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

Systemtic Name: (2R)-2-[2-[(1R)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]butanoate Openeye Name: (2R)-2-[2-[(1R)-1-azaniumyl-3-methylsulfanyl-propyl]benzimidazol-1-yl]butanoate CAS Name: (2R)-2-[2-[(1R)-1-ammonio-3-(methylthio)propyl]-1-benzimidazolyl]butanoate IUPAC Name: (2R)-2-[2-[(1R)-1-azaniumyl-3-methylsulfanylpropyl]benzimidazol-1-yl]butanoate Traditional Name: (2R)-2-[2-[(1R)-1-ammonio-3-(methylthio)propyl]benzimidazol-1-yl]butyrate Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S/c1-3-12(15(19)20)18-13-7-5-4-6-11(13)17-14(18)10(16)8-9-21-2/h4-7,10,12H,3,8-9,16H2,1-2H3,(H,19,20)/t10-,12-/m1/s1