[4-[[6-oxidanylidene-1-[2-oxidanylidene-2-[[1,1,1-tris(fluoranyl)-4-methyl-2-oxidanyl-pentan-3-yl]amino]ethyl]-5-(phenylmethoxycarbonylamino)pyridin-3-yl]methyl]phenyl] 2,2-dimethylpropanoate

Systemtic Name: [4-[[6-oxidanylidene-1-[2-oxidanylidene-2-[[1,1,1-tris(fluoranyl)-4-methyl-2-oxidanyl-pentan-3-yl]amino]ethyl]-5-(phenylmethoxycarbonylamino)pyridin-3-yl]methyl]phenyl] 2,2-dimethylpropanoate Openeye Name: [4-[[5-(benzyloxycarbonylamino)-6-oxo-1-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl)amino]ethyl]-3-pyridyl]methyl]phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[6-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-5-(phenylmethoxycarbonylamino)-3-pyridinyl]methyl]phenyl] ester IUPAC Name: [4-[[6-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-5-(phenylmethoxycarbonylamino)pyridin-3-yl]methyl]phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[[5-(benzyloxycarbonylamino)-6-keto-1-[2-keto-2-[(3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl)amino]ethyl]-3-pyridyl]methyl]phenyl] ester Formula: C33H38F3N3O7 MolecularWeight: 645.66593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(F)(F)F)O)NC(=O)CN1C=C(C=C(C1=O)NC(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)OC(=O)C(C)(C)C

Isomeric SMILES

CC(C)C(C(C(F)(F)F)O)NC(=O)CN1C=C(C=C(C1=O)NC(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)OC(=O)C(C)(C)C

InChI

InChI=1S/C33H38F3N3O7/c1-20(2)27(28(41)33(34,35)36)38-26(40)18-39-17-23(15-21-11-13-24(14-12-21)46-30(43)32(3,4)5)16-25(29(39)42)37-31(44)45-19-22-9-7-6-8-10-22/h6-14,16-17,20,27-28,41H,15,18-19H2,1-5H3,(H,37,44)(H,38,40)