2-[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]ethanoylamino]propanoic acid

Systemtic Name: 2-[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]ethanoylamino]propanoic acid Openeye Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]acetyl]amino]propanoic acid CAS Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-1-imidazolyl]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methylimidazol-1-yl]acetyl]amino]propanoic acid Traditional Name: 2-[[2-[4-(6-amidino-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]acetyl]amino]propionic acid Formula: C17H19N7O3 MolecularWeight: 369.37786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1CC(=O)NC(C)C(=O)O)C2=NC3=C(N2)C=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(N=CN1CC(=O)NC(C)C(=O)O)C2=NC3=C(N2)C=C(C=C3)C(=N)N

InChI

InChI=1S/C17H19N7O3/c1-8(17(26)27)21-13(25)6-24-7-20-14(9(24)2)16-22-11-4-3-10(15(18)19)5-12(11)23-16/h3-5,7-8H,6H2,1-2H3,(H3,18,19)(H,21,25)(H,22,23)(H,26,27)