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

Systemtic Name: 6-azanyl-2-[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]ethanoylamino]hexanoic acid Openeye Name: 6-amino-2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]acetyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-1-imidazolyl]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methylimidazol-1-yl]acetyl]amino]hexanoic acid Traditional Name: 2-[[2-[4-(6-amidino-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]acetyl]amino]-6-amino-hexanoic acid Formula: C20H26N8O3 MolecularWeight: 426.47224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N8O3/c1-11-17(19-26-13-6-5-12(18(22)23)8-15(13)27-19)24-10-28(11)9-16(29)25-14(20(30)31)4-2-3-7-21/h5-6,8,10,14H,2-4,7,9,21H2,1H3,(H3,22,23)(H,25,29)(H,26,27)(H,30,31)