1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(4-ethanimidoylpiperazin-1-yl)carbonylamino]-2-propan-2-yl-benzimidazole-4-carboxylic acid

Systemtic Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(4-ethanimidoylpiperazin-1-yl)carbonylamino]-2-propan-2-yl-benzimidazole-4-carboxylic acid Openeye Name: 1-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[(4-ethanimidoylpiperazine-1-carbonyl)amino]-2-isopropyl-benzimidazole-4-carboxylic acid CAS Name: 1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-6-[[[4-(1-iminoethyl)-1-piperazinyl]-oxomethyl]amino]-2-propan-2-yl-4-benzimidazolecarboxylic acid IUPAC Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(4-ethanimidoylpiperazine-1-carbonyl)amino]-2-propan-2-ylbenzimidazole-4-carboxylic acid Traditional Name: 6-[(4-acetimidoylpiperazine-1-carbonyl)amino]-1-[(7-amidino-2-naphthyl)methyl]-2-isopropyl-benzimidazole-4-carboxylic acid Formula: C30H34N8O3 MolecularWeight: 554.64276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=C(C=C2C(=O)O)NC(=O)N5CCN(CC5)C(=N)C

Isomeric SMILES

CC(C)C1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=C(C=C2C(=O)O)NC(=O)N5CCN(CC5)C(=N)C

InChI

InChI=1S/C30H34N8O3/c1-17(2)28-35-26-24(29(39)40)14-23(34-30(41)37-10-8-36(9-11-37)18(3)31)15-25(26)38(28)16-19-4-5-20-6-7-21(27(32)33)13-22(20)12-19/h4-7,12-15,17,31H,8-11,16H2,1-3H3,(H3,32,33)(H,34,41)(H,39,40)