2-[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-1-imidazolyl]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methylimidazol-1-yl]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[4-(6-amidino-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]acetyl]amino]-3-phenyl-propionic acid Formula: C23H23N7O3 MolecularWeight: 445.47382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1CC(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=NC4=C(N3)C=C(C=C4)C(=N)N

Isomeric SMILES

CC1=C(N=CN1CC(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=NC4=C(N3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C23H23N7O3/c1-13-20(22-28-16-8-7-15(21(24)25)10-17(16)29-22)26-12-30(13)11-19(31)27-18(23(32)33)9-14-5-3-2-4-6-14/h2-8,10,12,18H,9,11H2,1H3,(H3,24,25)(H,27,31)(H,28,29)(H,32,33)