3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)-N-phenethyl-pentanamide

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)-N-phenethyl-pentanamide Openeye Name: 3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)-N-phenethyl-pentanamide CAS Name: 3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)-N-phenethylpentanamide IUPAC Name: 3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)-N-phenethylpentanamide Traditional Name: 3-(3-amidinophenyl)-5-(4-amidinophenyl)-N-phenethyl-valeramide Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CC(CCC2=CC=C(C=C2)C(=N)N)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CC(CCC2=CC=C(C=C2)C(=N)N)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C27H31N5O/c28-26(29)21-12-9-20(10-13-21)11-14-23(22-7-4-8-24(17-22)27(30)31)18-25(33)32-16-15-19-5-2-1-3-6-19/h1-10,12-13,17,23H,11,14-16,18H2,(H3,28,29)(H3,30,31)(H,32,33)