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

Systemtic Name: N-(3-carbamimidoylphenyl)-N-phenethyl-5-phenyl-pentanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-(3-carbamimidoylphenyl)-N-phenethyl-5-phenyl-pentanamide; 2,2,2-trifluoroacetic acid CAS Name: N-(3-carbamimidoylphenyl)-N-phenethyl-5-phenylpentanamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-(3-carbamimidoylphenyl)-N-phenethyl-5-phenylpentanamide; 2,2,2-trifluoroacetic acid Traditional Name: N-(3-amidinophenyl)-N-phenethyl-5-phenyl-valeramide; 2,2,2-trifluoroacetic acid Formula: C30H31F6N3O5 MolecularWeight: 627.574659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(=O)N(CCC2=CC=CC=C2)C3=CC=CC(=C3)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(=O)N(CCC2=CC=CC=C2)C3=CC=CC(=C3)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C26H29N3O.2C2HF3O2/c27-26(28)23-15-9-16-24(20-23)29(19-18-22-12-5-2-6-13-22)25(30)17-8-7-14-21-10-3-1-4-11-21;2*3-2(4,5)1(6)7/h1-6,9-13,15-16,20H,7-8,14,17-19H2,(H3,27,28);2*(H,6,7)