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

Systemtic Name: 2-[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]ethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]acetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-1-imidazolyl]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methylimidazol-1-yl]acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[4-(6-amidino-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]acetyl]amino]-4-methyl-valeric acid Formula: C20H25N7O3 MolecularWeight: 411.4576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N7O3/c1-10(2)6-15(20(29)30)24-16(28)8-27-9-23-17(11(27)3)19-25-13-5-4-12(18(21)22)7-14(13)26-19/h4-5,7,9-10,15H,6,8H2,1-3H3,(H3,21,22)(H,24,28)(H,25,26)(H,29,30)