(2S)-2-(3H-benzimidazol-5-ylcarbonylamino)-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-(3H-benzimidazol-5-ylcarbonylamino)-4-methyl-pentanoic acid Openeye Name: (2S)-2-(3H-benzimidazole-5-carbonylamino)-4-methyl-pentanoic acid CAS Name: (2S)-2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-(3H-benzimidazole-5-carbonylamino)-4-methylpentanoic acid Traditional Name: (2S)-2-(3H-benzimidazole-5-carbonylamino)-4-methyl-valeric acid Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3/c1-8(2)5-12(14(19)20)17-13(18)9-3-4-10-11(6-9)16-7-15-10/h3-4,6-8,12H,5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)/t12-/m0/s1