3-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-2-methyl-propanoic acid

Systemtic Name: 3-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-2-methyl-propanoic acid Openeye Name: 3-[[3-[(7-carbamimidoyl-2-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoyl-4-piperidyl)amino]-2-methyl-propanoic acid CAS Name: 3-[[3-[(7-carbamimidoyl-2-naphthalenyl)methyl]-2-methyl-5-benzimidazolyl]-[1-(1-iminoethyl)-4-piperidinyl]amino]-2-methylpropanoic acid IUPAC Name: 3-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methylbenzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-2-methylpropanoic acid Traditional Name: 3-[(1-acetimidoyl-4-piperidyl)-[3-[(7-amidino-2-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]amino]-2-methyl-propionic acid Formula: C31H37N7O2 MolecularWeight: 539.67118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=C(C=C2)N(CC(C)C(=O)O)C5CCN(CC5)C(=N)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=C(C=C2)N(CC(C)C(=O)O)C5CCN(CC5)C(=N)C

InChI

InChI=1S/C31H37N7O2/c1-19(31(39)40)17-38(26-10-12-36(13-11-26)20(2)32)27-8-9-28-29(16-27)37(21(3)35-28)18-22-4-5-23-6-7-24(30(33)34)15-25(23)14-22/h4-9,14-16,19,26,32H,10-13,17-18H2,1-3H3,(H3,33,34)(H,39,40)