3-[[2-(2-carbamimidoyl-4-methyl-phenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(2-carbamimidoyl-4-methyl-phenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(2-carbamimidoyl-4-methyl-phenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(2-carbamimidoyl-4-methylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(2-carbamimidoyl-4-methylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(2-amidino-4-methyl-phenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C20H21N5O3/c1-11-3-5-13(14(9-11)18(21)22)19-24-15-10-12(4-6-16(15)25(19)2)20(28)23-8-7-17(26)27/h3-6,9-10H,7-8H2,1-2H3,(H3,21,22)(H,23,28)(H,26,27)