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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)C=C(C=C2)N(CC(C)C(=O)O)C5CCN(CC5)C(=N)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=C(C4=CC=CC=C34)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(23-12-14-36(15-13-23)20(2)32)24-9-11-28-29(16-24)37(21(3)35-28)18-22-8-10-27(30(33)34)26-7-5-4-6-25(22)26/h4-11,16,19,23,32H,12-15,17-18H2,1-3H3,(H3,33,34)(H,39,40)