[4-[[[(2S)-1-[(3S)-3-phenyl-3-pyridin-4-yl-propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]cyclohexyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [4-[[[(2S)-1-[(3S)-3-phenyl-3-pyridin-4-yl-propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]cyclohexyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [4-[[[(2S)-1-[(3S)-3-phenyl-3-(4-pyridyl)propanoyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [4-[[[oxo-[(2S)-1-[(3S)-1-oxo-3-phenyl-3-pyridin-4-ylpropyl]-2-pyrrolidinyl]methyl]amino]methyl]cyclohexyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [4-[[[(2S)-1-[(3S)-3-phenyl-3-pyridin-4-ylpropanoyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [4-[[[(2S)-1-[(3S)-3-phenyl-3-(4-pyridyl)propanoyl]prolyl]amino]methyl]cyclohexyl]ammonium; 2,2,2-trifluoroacetate Formula: C28H35F3N4O4 MolecularWeight: 548.59711

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(C2=CC=CC=C2)C3=CC=NC=C3)C(=O)NCC4CCC(CC4)[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C[C@@H](C2=CC=CC=C2)C3=CC=NC=C3)C(=O)NCC4CCC(CC4)[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C26H34N4O2.C2HF3O2/c27-22-10-8-19(9-11-22)18-29-26(32)24-7-4-16-30(24)25(31)17-23(20-5-2-1-3-6-20)21-12-14-28-15-13-21;3-2(4,5)1(6)7/h1-3,5-6,12-15,19,22-24H,4,7-11,16-18,27H2,(H,29,32);(H,6,7)/t19?,22?,23-,24-;/m0./s1