3-(4-carbamimidoylphenyl)-N'-[(4-carbamimidoylphenyl)methyl]-3-cyclohexyl-2-(3-fluorophenyl)-2-methyl-butanediamide

Systemtic Name: 3-(4-carbamimidoylphenyl)-N'-[(4-carbamimidoylphenyl)methyl]-3-cyclohexyl-2-(3-fluorophenyl)-2-methyl-butanediamide Openeye Name: 3-(4-carbamimidoylphenyl)-N'-[(4-carbamimidoylphenyl)methyl]-3-cyclohexyl-2-(3-fluorophenyl)-2-methyl-butanediamide CAS Name: 3-(4-carbamimidoylphenyl)-N'-[(4-carbamimidoylphenyl)methyl]-3-cyclohexyl-2-(3-fluorophenyl)-2-methylbutanediamide IUPAC Name: 3-(4-carbamimidoylphenyl)-N'-[(4-carbamimidoylphenyl)methyl]-3-cyclohexyl-2-(3-fluorophenyl)-2-methylbutanediamide Traditional Name: N-(4-amidinobenzyl)-2-(4-amidinophenyl)-2-cyclohexyl-3-(3-fluorophenyl)-3-methyl-succinamide Formula: C32H37FN6O2 MolecularWeight: 556.673583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)F)(C(=O)N)C(C2CCCCC2)(C3=CC=C(C=C3)C(=N)N)C(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC(C1=CC(=CC=C1)F)(C(=O)N)C(C2CCCCC2)(C3=CC=C(C=C3)C(=N)N)C(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C32H37FN6O2/c1-31(29(38)40,25-8-5-9-26(33)18-25)32(23-6-3-2-4-7-23,24-16-14-22(15-17-24)28(36)37)30(41)39-19-20-10-12-21(13-11-20)27(34)35/h5,8-18,23H,2-4,6-7,19H2,1H3,(H3,34,35)(H3,36,37)(H2,38,40)(H,39,41)