3-[[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-yl-benzimidazol-5-yl]amino]propanoic acid

Systemtic Name: 3-[[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-yl-benzimidazol-5-yl]amino]propanoic acid Openeye Name: 3-[[1-[(4-carbamimidoyl-1-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-isopropyl-benzimidazol-5-yl]amino]propanoic acid CAS Name: 3-[[1-[(4-carbamimidoyl-1-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-propan-2-yl-5-benzimidazolyl]amino]propanoic acid IUPAC Name: 3-[[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-ylbenzimidazol-5-yl]amino]propanoic acid Traditional Name: 3-[[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(4-amidino-1-naphthyl)methyl]-2-isopropyl-benzimidazol-5-yl]amino]propionic acid Formula: C32H39N7O3 MolecularWeight: 569.69716

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)NCCC(=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)NCCC(=O)O

InChI

InChI=1S/C32H39N7O3/c1-19(2)32-37-26-16-27(36-13-10-30(40)41)29(42-22-11-14-38(15-12-22)20(3)33)17-28(26)39(32)18-21-8-9-25(31(34)35)24-7-5-4-6-23(21)24/h4-9,16-17,19,22,33,36H,10-15,18H2,1-3H3,(H3,34,35)(H,40,41)