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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H37N7O2/c1-20(32)36-16-13-23(14-17-36)37(15-5-8-30(39)40)24-10-12-28-29(18-24)38(21(2)35-28)19-22-9-11-27(31(33)34)26-7-4-3-6-25(22)26/h3-4,6-7,9-12,18,23,32H,5,8,13-17,19H2,1-2H3,(H3,33,34)(H,39,40)