N-[(2R)-1-[(3aR)-3-oxidanylidene-3a-(pyridin-2-ylmethyl)-2-[2,2,2-tris(fluoranyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]-2-azanyl-2-methyl-propanamide

Systemtic Name: N-[(2R)-1-[(3aR)-3-oxidanylidene-3a-(pyridin-2-ylmethyl)-2-[2,2,2-tris(fluoranyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]-2-azanyl-2-methyl-propanamide Openeye Name: 2-amino-N-[(1R)-2-[(3aR)-3-oxo-3a-(2-pyridylmethyl)-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(benzyloxymethyl)-2-oxo-ethyl]-2-methyl-propanamide CAS Name: 2-amino-N-[(2R)-1-[(3aR)-3-oxo-3a-(2-pyridinylmethyl)-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide IUPAC Name: 2-amino-N-[(2R)-1-[(3aR)-3-oxo-3a-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide Traditional Name: N-[(1R)-2-[(3aR)-3-keto-3a-(2-pyridylmethyl)-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(benzoxymethyl)-2-keto-ethyl]-2-amino-2-methyl-propionamide Formula: C28H33F3N6O4 MolecularWeight: 574.59463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3=NN(C(=O)C3(C2)CC4=CC=CC=N4)CC(F)(F)F)N

Isomeric SMILES

CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N2CCC3=NN(C(=O)[C@@]3(C2)CC4=CC=CC=N4)CC(F)(F)F)N

InChI

InChI=1S/C28H33F3N6O4/c1-26(2,32)24(39)34-21(16-41-15-19-8-4-3-5-9-19)23(38)36-13-11-22-27(17-36,14-20-10-6-7-12-33-20)25(40)37(35-22)18-28(29,30)31/h3-10,12,21H,11,13-18,32H2,1-2H3,(H,34,39)/t21-,27-/m1/s1