(2S)-4-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-[(2S,4R)-2-oxidanyl-5-[[(3S,4S)-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxidanylidene-4-[(5-pyridin-3-yl-1,3-oxazol-2-yl)methyl]pentyl]-N-[2,2,2-tris(fluoranyl)ethyl]piperazine-2-carboxamide

Systemtic Name: (2S)-4-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-[(2S,4R)-2-oxidanyl-5-[[(3S,4S)-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxidanylidene-4-[(5-pyridin-3-yl-1,3-oxazol-2-yl)methyl]pentyl]-N-[2,2,2-tris(fluoranyl)ethyl]piperazine-2-carboxamide Openeye Name: (2S)-4-[[5-(4-chlorophenyl)-2-furyl]methyl]-1-[(2S,4R)-2-hydroxy-5-[[(3S,4S)-3-hydroxychroman-4-yl]amino]-5-oxo-4-[[5-(3-pyridyl)oxazol-2-yl]methyl]pentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide CAS Name: (2S)-4-[[5-(4-chlorophenyl)-2-furanyl]methyl]-1-[(2S,4R)-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-5-oxo-4-[[5-(3-pyridinyl)-2-oxazolyl]methyl]pentyl]-N-(2,2,2-trifluoroethyl)-2-piperazinecarboxamide IUPAC Name: (2S)-4-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-[(2S,4R)-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxo-4-[(5-pyridin-3-yl-1,3-oxazol-2-yl)methyl]pentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide Traditional Name: (2S)-4-[[5-(4-chlorophenyl)-2-furyl]methyl]-1-[(2S,4R)-2-hydroxy-5-[[(3S,4S)-3-hydroxychroman-4-yl]amino]-5-keto-4-[[5-(3-pyridyl)oxazol-2-yl]methyl]pentyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide Formula: C41H42ClF3N6O7 MolecularWeight: 823.25639

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C(=O)NCC(F)(F)F)CC(CC(CC4=NC=C(O4)C5=CN=CC=C5)C(=O)NC6C(COC7=CC=CC=C67)O)O

Isomeric SMILES

C1CN([C@@H](CN1CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C(=O)NCC(F)(F)F)C[C@H](C[C@H](CC4=NC=C(O4)C5=CN=CC=C5)C(=O)N[C@@H]6[C@@H](COC7=CC=CC=C67)O)O

InChI

InChI=1S/C41H42ClF3N6O7/c42-28-9-7-25(8-10-28)34-12-11-30(57-34)21-50-14-15-51(32(22-50)40(55)48-24-41(43,44)45)20-29(52)16-27(17-37-47-19-36(58-37)26-4-3-13-46-18-26)39(54)49-38-31-5-1-2-6-35(31)56-23-33(38)53/h1-13,18-19,27,29,32-33,38,52-53H,14-17,20-24H2,(H,48,55)(H,49,54)/t27-,29+,32+,33-,38+/m1/s1