methyl (2S)-2-[[[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]carbamothioyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]carbamothioyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(tert-butoxycarbonylamino)-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]carbamothioyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-sulfanylidenemethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]carbamothioyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(tert-butoxycarbonylamino)-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]thiocarbamoyl]amino]-4-methyl-valeric acid methyl ester Formula: C25H36F2N6O5S MolecularWeight: 570.652346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=S)N(C(C)C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N(C(=S)N[C@@H](CC(C)C)C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H36F2N6O5S/c1-15(2)10-20(21(34)37-7)30-22(39)33(31-23(35)38-24(4,5)6)16(3)25(36,12-32-14-28-13-29-32)18-9-8-17(26)11-19(18)27/h8-9,11,13-16,20,36H,10,12H2,1-7H3,(H,30,39)(H,31,35)/t16-,20+,25-/m1/s1