1-[1-[2-azanyl-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonyl-N-[1-[(1-azanyl-1-oxidanylidene-3-phenylmethoxy-propan-2-yl)amino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]pyrrolidine-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-[1-[2-azanyl-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonyl-N-[1-[(1-azanyl-1-oxidanylidene-3-phenylmethoxy-propan-2-yl)amino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]pyrrolidine-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[2-[[2-amino-1-(benzyloxymethyl)-2-oxo-ethyl]amino]-1-[(4-benzyloxyphenyl)methyl]-2-oxo-ethyl]-1-[1-[2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 1-[[1-[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-N-[1-[(1-amino-1-oxo-3-phenylmethoxypropan-2-yl)amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-pyrrolidinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[1-[2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]-N-[1-[(1-amino-1-oxo-3-phenylmethoxypropan-2-yl)amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[2-[[2-amino-1-(benzoxymethyl)-2-keto-ethyl]amino]-1-(4-benzoxybenzyl)-2-keto-ethyl]-1-[1-[2-amino-3-(1H-indol-3-yl)propanoyl]prolyl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C49H54F3N7O9 MolecularWeight: 941.98977

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CC3=CNC4=CC=CC=C43)N)C(=O)NC(CC5=CC=C(C=C5)OCC6=CC=CC=C6)C(=O)NC(COCC7=CC=CC=C7)C(=O)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CC3=CNC4=CC=CC=C43)N)C(=O)NC(CC5=CC=C(C=C5)OCC6=CC=CC=C6)C(=O)NC(COCC7=CC=CC=C7)C(=O)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C47H53N7O7.C2HF3O2/c48-37(26-34-27-50-38-16-8-7-15-36(34)38)46(58)54-24-10-18-42(54)47(59)53-23-9-17-41(53)45(57)51-39(25-31-19-21-35(22-20-31)61-29-33-13-5-2-6-14-33)44(56)52-40(43(49)55)30-60-28-32-11-3-1-4-12-32;3-2(4,5)1(6)7/h1-8,11-16,19-22,27,37,39-42,50H,9-10,17-18,23-26,28-30,48H2,(H2,49,55)(H,51,57)(H,52,56);(H,6,7)