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

Systemtic Name: 4-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[(4-carbamimidoyl-1-naphthyl)methyl]benzimidazol-5-yl]-(1-ethanimidoyl-4-piperidyl)amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[(4-carbamimidoyl-1-naphthalenyl)methyl]-5-benzimidazolyl]-[1-(1-iminoethyl)-4-piperidinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-acetimidoyl-4-piperidyl)-[3-[(4-amidino-1-naphthyl)methyl]benzimidazol-5-yl]amino]-4-keto-butyric acid Formula: C30H33N7O3 MolecularWeight: 539.62812

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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(=O)CCC(=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(=O)CCC(=O)O

InChI

InChI=1S/C30H33N7O3/c1-19(31)35-14-12-21(13-15-35)37(28(38)10-11-29(39)40)22-7-9-26-27(16-22)36(18-34-26)17-20-6-8-25(30(32)33)24-5-3-2-4-23(20)24/h2-9,16,18,21,31H,10-15,17H2,1H3,(H3,32,33)(H,39,40)