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]-3-phenyl-propanoate

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]-3-phenyl-propanoate 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]-3-phenyl-propanoate 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]-3-phenylpropanoic 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]-3-phenylpropanoate 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]-3-phenyl-propionic acid methyl ester Formula: C28H34F2N6O5S MolecularWeight: 604.668566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N(C(=S)NC(CC3=CC=CC=C3)C(=O)OC)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](CC3=CC=CC=C3)C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H34F2N6O5S/c1-18(28(39,15-35-17-31-16-32-35)21-12-11-20(29)14-22(21)30)36(34-26(38)41-27(2,3)4)25(42)33-23(24(37)40-5)13-19-9-7-6-8-10-19/h6-12,14,16-18,23,39H,13,15H2,1-5H3,(H,33,42)(H,34,38)/t18-,23+,28-/m1/s1