4-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]butanoic acid

Systemtic Name: 4-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]butanoic acid Openeye Name: 4-[[3-[(7-carbamimidoyl-2-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoyl-4-piperidyl)amino]butanoic acid CAS Name: 4-[[3-[(7-carbamimidoyl-2-naphthalenyl)methyl]-2-methyl-5-benzimidazolyl]-[1-(1-iminoethyl)-4-piperidinyl]amino]butanoic acid IUPAC Name: 4-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methylbenzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]butanoic acid Traditional Name: 4-[(1-acetimidoyl-4-piperidyl)-[3-[(7-amidino-2-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=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=C(C=C2)N(CCCC(=O)O)C5CCN(CC5)C(=N)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=C(C=C2)N(CCCC(=O)O)C5CCN(CC5)C(=N)C

InChI

InChI=1S/C31H37N7O2/c1-20(32)36-14-11-26(12-15-36)37(13-3-4-30(39)40)27-9-10-28-29(18-27)38(21(2)35-28)19-22-5-6-23-7-8-24(31(33)34)17-25(23)16-22/h5-10,16-18,26,32H,3-4,11-15,19H2,1-2H3,(H3,33,34)(H,39,40)