4-[[2-[1-[(2R,3R)-2-[2,4-bis(fluoranyl)phenyl]-3-[[2-[(1E,3E)-4-(4-cyano-2-fluoranyl-phenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-yl]oxycarbonyloxyethoxy]-2-oxidanylidene-ethyl]-methyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[1-[(2R,3R)-2-[2,4-bis(fluoranyl)phenyl]-3-[[2-[(1E,3E)-4-(4-cyano-2-fluoranyl-phenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-yl]oxycarbonyloxyethoxy]-2-oxidanylidene-ethyl]-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-[1-[(1R,2R)-2-[[2-[(1E,3E)-4-(4-cyano-2-fluoro-phenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]-1-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propoxy]carbonyloxyethoxy]-2-oxo-ethyl]-methyl-amino]-4-oxo-butanoic acid CAS Name: 4-[[2-[1-[[(2R,3R)-3-[[2-[(1E,3E)-4-(4-cyano-2-fluorophenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]thio]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxy-oxomethoxy]ethoxy]-2-oxoethyl]-methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[2-[1-[(2R,3R)-3-[[2-[(1E,3E)-4-(4-cyano-2-fluorophenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxycarbonyloxyethoxy]-2-oxoethyl]-methylamino]-4-oxobutanoic acid Traditional Name: 4-[[2-[1-[(1R,2R)-2-[[2-[(1E,3E)-4-(4-cyano-2-fluoro-phenyl)buta-1,3-dienyl]-1,3-dioxan-5-yl]thio]-1-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propoxy]carbonyloxyethoxy]-2-keto-ethyl]-methyl-amino]-4-keto-butyric acid Formula: C37H38F3N5O10S MolecularWeight: 801.78533

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)OC(=O)OC(C)OC(=O)CN(C)C(=O)CCC(=O)O)SC3COC(OC3)C=CC=CC4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)OC(=O)OC(C)OC(=O)CN(C)C(=O)CCC(=O)O)SC3COC(OC3)/C=C/C=C/C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C37H38F3N5O10S/c1-23(56-28-18-51-35(52-19-28)7-5-4-6-26-9-8-25(16-41)14-30(26)39)37(20-45-22-42-21-43-45,29-11-10-27(38)15-31(29)40)55-36(50)54-24(2)53-34(49)17-44(3)32(46)12-13-33(47)48/h4-11,14-15,21-24,28,35H,12-13,17-20H2,1-3H3,(H,47,48)/b6-4+,7-5+/t23-,24?,28?,35?,37-/m1/s1