2-(2-azanyl-2-oxidanylidene-ethyl)-N-[(4-carbamimidoylphenyl)methyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)-N-[(4-carbamimidoylphenyl)methyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-(2-amino-2-oxo-ethyl)-N-[(4-carbamimidoylphenyl)methyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 2-(2-amino-2-oxoethyl)-N-[(4-carbamimidoylphenyl)methyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(2-amino-2-oxoethyl)-N-[(4-carbamimidoylphenyl)methyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-(4-amidinobenzyl)-2-(2-amino-2-keto-ethyl)-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxamide; 2,2,2-trifluoroacetic acid Formula: C30H31F3N6O5 MolecularWeight: 612.59955

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C28H30N6O3.C2HF3O2/c29-25(35)15-24-28(37)34(13-12-18-4-2-1-3-5-18)17-22-11-10-21(14-23(22)33-24)27(36)32-16-19-6-8-20(9-7-19)26(30)31;3-2(4,5)1(6)7/h1-11,14,24,33H,12-13,15-17H2,(H2,29,35)(H3,30,31)(H,32,36);(H,6,7)