2-(3H-benzimidazol-5-ylcarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-(3H-benzimidazol-5-ylcarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-(3H-benzimidazole-5-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-(3H-benzimidazole-5-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-(3H-benzimidazole-5-carbonylamino)-3-(1H-imidazol-5-yl)propionic acid Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC(CC3=CN=CN3)C(=O)O)NC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC(CC3=CN=CN3)C(=O)O)NC=N2

InChI

InChI=1S/C14H13N5O3/c20-13(8-1-2-10-11(3-8)18-7-17-10)19-12(14(21)22)4-9-5-15-6-16-9/h1-3,5-7,12H,4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)