N-[(2R)-1-[(2R,4R)-2-[2-[bis(azanyl)methylideneamino]ethylcarbamoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidine-4-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[(2R)-1-[(2R,4R)-2-[2-[bis(azanyl)methylideneamino]ethylcarbamoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidine-4-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[(1R)-1-benzyl-2-[(2R,4R)-2-(2-guanidinoethylcarbamoyl)-4-(2-naphthylmethoxy)pyrrolidin-1-yl]-2-oxo-ethyl]piperidine-4-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: N-[(2R)-1-[(2R,4R)-2-[[2-(diaminomethylideneamino)ethylamino]-oxomethyl]-4-(2-naphthalenylmethoxy)-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]-4-piperidinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[(2R)-1-[(2R,4R)-2-[2-(diaminomethylideneamino)ethylcarbamoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[(1R)-1-benzyl-2-[(2R,4R)-2-(2-guanidinoethylcarbamoyl)-4-(2-naphthylmethoxy)pyrrolidino]-2-keto-ethyl]isonipecotamide; 2,2,2-trifluoroacetic acid Formula: C36H44F3N7O6 MolecularWeight: 727.77307

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)N3CC(CC3C(=O)NCCN=C(N)N)OCC4=CC5=CC=CC=C5C=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CNCCC1C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N3C[C@@H](C[C@@H]3C(=O)NCCN=C(N)N)OCC4=CC5=CC=CC=C5C=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C34H43N7O4.C2HF3O2/c35-34(36)39-17-16-38-32(43)30-20-28(45-22-24-10-11-25-8-4-5-9-27(25)18-24)21-41(30)33(44)29(19-23-6-2-1-3-7-23)40-31(42)26-12-14-37-15-13-26;3-2(4,5)1(6)7/h1-11,18,26,28-30,37H,12-17,19-22H2,(H,38,43)(H,40,42)(H4,35,36,39);(H,6,7)/t28-,29-,30-;/m1./s1