3-[[2-(5-carbamimidoylpyridin-2-yl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(5-carbamimidoylpyridin-2-yl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(5-carbamimidoyl-2-pyridyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(5-carbamimidoyl-2-pyridinyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(5-carbamimidoylpyridin-2-yl)-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(5-amidino-2-pyridyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H18N6O3/c1-24-14-5-3-10(18(27)21-7-6-15(25)26)8-13(14)23-17(24)12-4-2-11(9-22-12)16(19)20/h2-5,8-9H,6-7H2,1H3,(H3,19,20)(H,21,27)(H,25,26)