(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-pyrrolidine-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-pyrrolidine-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-pyrrolidine-3-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: (3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-3-pyrrolidinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: (3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: (3S)-1-(3-amidinobenzyl)-2-keto-pyrrolidine-3-carboxamide; 2,2,2-trifluoroacetic acid Formula: C17H18F6N4O6 MolecularWeight: 488.338439

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1C(=O)N)CC2=CC=CC(=C2)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(C(=O)[C@@H]1C(=O)N)CC2=CC=CC(=C2)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C13H16N4O2.2C2HF3O2/c14-11(15)9-3-1-2-8(6-9)7-17-5-4-10(12(16)18)13(17)19;2*3-2(4,5)1(6)7/h1-3,6,10H,4-5,7H2,(H3,14,15)(H2,16,18);2*(H,6,7)/t10-;;/m0../s1