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

Systemtic Name: 2-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[3-[(4-carbamimidoyl-1-naphthyl)methyl]benzimidazol-5-yl]-(1-ethanimidoyl-4-piperidyl)amino]-2-phenyl-acetic acid CAS Name: 2-[[3-[(4-carbamimidoyl-1-naphthalenyl)methyl]-5-benzimidazolyl]-[1-(1-iminoethyl)-4-piperidinyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-2-phenylacetic acid Traditional Name: 2-[(1-acetimidoyl-4-piperidyl)-[3-[(4-amidino-1-naphthyl)methyl]benzimidazol-5-yl]amino]-2-phenyl-acetic acid Formula: C34H35N7O2 MolecularWeight: 573.6874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)N(C2=CC3=C(C=C2)N=CN3CC4=CC=C(C5=CC=CC=C45)C(=N)N)C(C6=CC=CC=C6)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)N(C2=CC3=C(C=C2)N=CN3CC4=CC=C(C5=CC=CC=C45)C(=N)N)C(C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C34H35N7O2/c1-22(35)39-17-15-25(16-18-39)41(32(34(42)43)23-7-3-2-4-8-23)26-12-14-30-31(19-26)40(21-38-30)20-24-11-13-29(33(36)37)28-10-6-5-9-27(24)28/h2-14,19,21,25,32,35H,15-18,20H2,1H3,(H3,36,37)(H,42,43)