(2S)-2-(3H-benzimidazol-5-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (2S)-2-(3H-benzimidazol-5-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (2S)-2-(3H-benzimidazole-5-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-(3H-benzimidazole-5-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(3H-benzimidazole-5-carbonylamino)-3-methyl-butyrate Formula: C13H14N3O3- MolecularWeight: 260.26856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC2=C(C=C1)N=CN2

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c1-7(2)11(13(18)19)16-12(17)8-3-4-9-10(5-8)15-6-14-9/h3-7,11H,1-2H3,(H,14,15)(H,16,17)(H,18,19)/p-1/t11-/m0/s1