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

Systemtic Name: 4-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[(7-carbamimidoyl-2-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoyl-4-piperidyl)amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[(7-carbamimidoyl-2-naphthalenyl)methyl]-2-methyl-5-benzimidazolyl]-[1-(1-iminoethyl)-4-piperidinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methylbenzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-acetimidoyl-4-piperidyl)-[3-[(7-amidino-2-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]amino]-4-keto-butyric acid Formula: C31H35N7O3 MolecularWeight: 553.6547

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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(C5CCN(CC5)C(=N)C)C(=O)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C31H35N7O3/c1-19(32)36-13-11-25(12-14-36)38(29(39)9-10-30(40)41)26-7-8-27-28(17-26)37(20(2)35-27)18-21-3-4-22-5-6-23(31(33)34)16-24(22)15-21/h3-8,15-17,25,32H,9-14,18H2,1-2H3,(H3,33,34)(H,40,41)