(2S)-2-(3H-benzimidazol-5-ylcarbonylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-(3H-benzimidazol-5-ylcarbonylamino)-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-(3H-benzimidazole-5-carbonylamino)-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-(3H-benzimidazole-5-carbonylamino)-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-(3H-benzimidazole-5-carbonylamino)-4-(methylthio)butyric acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N=CN2

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=CC2=C(C=C1)N=CN2

InChI

InChI=1S/C13H15N3O3S/c1-20-5-4-10(13(18)19)16-12(17)8-2-3-9-11(6-8)15-7-14-9/h2-3,6-7,10H,4-5H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t10-/m0/s1