(2R,4R)-1-[(2R)-2-[[(2R)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]-N-[2-[bis(azanyl)methylideneamino]ethyl]-4-(naphthalen-2-ylmethoxy)pyrrolidine-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2R,4R)-1-[(2R)-2-[[(2R)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]-N-[2-[bis(azanyl)methylideneamino]ethyl]-4-(naphthalen-2-ylmethoxy)pyrrolidine-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2R,4R)-1-[(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]-N-(2-guanidinoethyl)-4-(2-naphthylmethoxy)pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: (2R,4R)-1-[(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]-N-[2-(diaminomethylideneamino)ethyl]-4-(2-naphthalenylmethoxy)-2-pyrrolidinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: (2R,4R)-1-[(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]-N-[2-(diaminomethylideneamino)ethyl]-4-(naphthalen-2-ylmethoxy)pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: (2R,4R)-1-[(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]-N-(2-guanidinoethyl)-4-(2-naphthylmethoxy)pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C36H42F3N9O6 MolecularWeight: 753.77059

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCN=C(N)N)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CN=CN3)N)OCC4=CC5=CC=CC=C5C=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1[C@H](CN([C@H]1C(=O)NCCN=C(N)N)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CN=CN3)N)OCC4=CC5=CC=CC=C5C=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C34H41N9O4.C2HF3O2/c35-28(16-26-18-38-21-41-26)31(44)42-29(15-22-6-2-1-3-7-22)33(46)43-19-27(17-30(43)32(45)39-12-13-40-34(36)37)47-20-23-10-11-24-8-4-5-9-25(24)14-23;3-2(4,5)1(6)7/h1-11,14,18,21,27-30H,12-13,15-17,19-20,35H2,(H,38,41)(H,39,45)(H,42,44)(H4,36,37,40);(H,6,7)/t27-,28-,29-,30-;/m1./s1