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

Systemtic Name: N-[(2R)-1-[(2S,4R)-2-[3-[bis(azanyl)methylideneamino]propyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-phenyl-propanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[(1R)-1-benzyl-2-[(2S,4R)-2-(3-guanidinopropyl)-4-(2-naphthylmethoxy)pyrrolidin-1-yl]-2-oxo-ethyl]-3-phenyl-propanamide; 2,2,2-trifluoroacetic acid CAS Name: N-[(2R)-1-[(2S,4R)-2-[3-(diaminomethylideneamino)propyl]-4-(2-naphthalenylmethoxy)-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[(2R)-1-[(2S,4R)-2-[3-(diaminomethylideneamino)propyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[(1R)-1-benzyl-2-[(2S,4R)-2-(3-guanidinopropyl)-4-(2-naphthylmethoxy)pyrrolidino]-2-keto-ethyl]-3-phenyl-propionamide; 2,2,2-trifluoroacetic acid Formula: C39H44F3N5O5 MolecularWeight: 719.79237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CCCN=C(N)N)C(=O)C(CC2=CC=CC=C2)NC(=O)CCC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1[C@H](CN([C@H]1CCCN=C(N)N)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CCC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C37H43N5O3.C2HF3O2/c38-37(39)40-21-9-16-32-24-33(45-26-29-17-19-30-14-7-8-15-31(30)22-29)25-42(32)36(44)34(23-28-12-5-2-6-13-28)41-35(43)20-18-27-10-3-1-4-11-27;3-2(4,5)1(6)7/h1-8,10-15,17,19,22,32-34H,9,16,18,20-21,23-26H2,(H,41,43)(H4,38,39,40);(H,6,7)/t32-,33+,34+;/m0./s1