3-[[2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-3H-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-3H-benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-3H-benzimidazole-5-carbonyl]amino]propionic acid Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CN)NC(=N2)CC3=NC4=C(N3)C=C(C=C4)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1CN)NC(=N2)CC3=NC4=C(N3)C=C(C=C4)C(=O)NCCC(=O)O

InChI

InChI=1S/C20H20N6O3/c21-10-11-1-3-13-15(7-11)25-17(23-13)9-18-24-14-4-2-12(8-16(14)26-18)20(29)22-6-5-19(27)28/h1-4,7-8H,5-6,9-10,21H2,(H,22,29)(H,23,25)(H,24,26)(H,27,28)