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

Systemtic Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(1-ethanimidoylpiperidin-4-yl)carbonylamino]-2-propan-2-yl-benzimidazole-4-carboxylic acid Openeye Name: 1-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoylpiperidine-4-carbonyl)amino]-2-isopropyl-benzimidazole-4-carboxylic acid CAS Name: 1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-6-[[[1-(1-iminoethyl)-4-piperidinyl]-oxomethyl]amino]-2-propan-2-yl-4-benzimidazolecarboxylic acid IUPAC Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(1-ethanimidoylpiperidine-4-carbonyl)amino]-2-propan-2-ylbenzimidazole-4-carboxylic acid Traditional Name: 6-[(1-acetimidoylisonipecotoyl)amino]-1-[(7-amidino-2-naphthyl)methyl]-2-isopropyl-benzimidazole-4-carboxylic acid Formula: C31H35N7O3 MolecularWeight: 553.6547

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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)C5CCN(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)C5CCN(CC5)C(=N)C

InChI

InChI=1S/C31H35N7O3/c1-17(2)29-36-27-25(31(40)41)14-24(35-30(39)21-8-10-37(11-9-21)18(3)32)15-26(27)38(29)16-19-4-5-20-6-7-22(28(33)34)13-23(20)12-19/h4-7,12-15,17,21,32H,8-11,16H2,1-3H3,(H3,33,34)(H,35,39)(H,40,41)