2-[[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-yl-benzimidazol-5-yl]amino]-2-methyl-propanoic acid

Systemtic Name: 2-[[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-yl-benzimidazol-5-yl]amino]-2-methyl-propanoic acid Openeye Name: 2-[[1-[(4-carbamimidoyl-1-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-isopropyl-benzimidazol-5-yl]amino]-2-methyl-propanoic acid CAS Name: 2-[[1-[(4-carbamimidoyl-1-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-propan-2-yl-5-benzimidazolyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-ylbenzimidazol-5-yl]amino]-2-methylpropanoic acid Traditional Name: 2-[[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(4-amidino-1-naphthyl)methyl]-2-isopropyl-benzimidazol-5-yl]amino]-2-methyl-propionic acid Formula: C33H41N7O3 MolecularWeight: 583.72374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC(=C(C=C2N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCN(CC5)C(=N)C)NC(C)(C)C(=O)O

Isomeric SMILES

CC(C)C1=NC2=CC(=C(C=C2N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCN(CC5)C(=N)C)NC(C)(C)C(=O)O

InChI

InChI=1S/C33H41N7O3/c1-19(2)31-37-26-16-27(38-33(4,5)32(41)42)29(43-22-12-14-39(15-13-22)20(3)34)17-28(26)40(31)18-21-10-11-25(30(35)36)24-9-7-6-8-23(21)24/h6-11,16-17,19,22,34,38H,12-15,18H2,1-5H3,(H3,35,36)(H,41,42)