N-carbamimidoyl-3-(3-carbamimidoylphenyl)-N-methyl-5-phenyl-pentanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-carbamimidoyl-3-(3-carbamimidoylphenyl)-N-methyl-5-phenyl-pentanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-carbamimidoyl-3-(3-carbamimidoylphenyl)-N-methyl-5-phenyl-pentanamide; 2,2,2-trifluoroacetic acid CAS Name: N-carbamimidoyl-3-(3-carbamimidoylphenyl)-N-methyl-5-phenylpentanamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-carbamimidoyl-3-(3-carbamimidoylphenyl)-N-methyl-5-phenylpentanamide; 2,2,2-trifluoroacetic acid Traditional Name: N-amidino-3-(3-amidinophenyl)-N-methyl-5-phenyl-valeramide; 2,2,2-trifluoroacetic acid Formula: C24H27F6N5O5 MolecularWeight: 579.492099

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CC(CCC1=CC=CC=C1)C2=CC=CC(=C2)C(=N)N)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN(C(=O)CC(CCC1=CC=CC=C1)C2=CC=CC(=C2)C(=N)N)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H25N5O.2C2HF3O2/c1-25(20(23)24)18(26)13-16(11-10-14-6-3-2-4-7-14)15-8-5-9-17(12-15)19(21)22;2*3-2(4,5)1(6)7/h2-9,12,16H,10-11,13H2,1H3,(H3,21,22)(H3,23,24);2*(H,6,7)