3-[[2-(4-carbamimidoylphenyl)-7-methyl-3H-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-7-methyl-3H-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-7-methyl-3H-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-7-methyl-3H-benzimidazol-5-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-7-methyl-3H-benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-7-methyl-3H-benzimidazole-5-carbonyl]amino]propionic acid Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C(=O)NCCC(=O)O)NC(=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C2C(=CC(=C1)C(=O)NCCC(=O)O)NC(=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H19N5O3/c1-10-8-13(19(27)22-7-6-15(25)26)9-14-16(10)24-18(23-14)12-4-2-11(3-5-12)17(20)21/h2-5,8-9H,6-7H2,1H3,(H3,20,21)(H,22,27)(H,23,24)(H,25,26)