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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3/c1-3-8(2)12(14(19)20)17-13(18)9-4-5-10-11(6-9)16-7-15-10/h4-8,12H,3H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)/t8-,12-/m0/s1