[4-[(2S)-2-acetamido-3-oxidanylidene-3-[[(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]propyl]phenyl] dihydrogen phosphate

Systemtic Name: [4-[(2S)-2-acetamido-3-oxidanylidene-3-[[(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]propyl]phenyl] dihydrogen phosphate Openeye Name: [4-[(2S)-2-acetamido-3-oxo-3-[[(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]propyl]phenyl] dihydrogen phosphate CAS Name: [4-[(2S)-2-acetamido-3-oxo-3-[[(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]propyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[(2S)-2-acetamido-3-oxo-3-[[(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]propyl]phenyl] dihydrogen phosphate Traditional Name: [4-[(2S)-2-acetamido-3-keto-3-[[(1S)-1-[3-[4-(trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]propyl]phenyl] dihydrogen phosphate Formula: C23H24F3N4O7P MolecularWeight: 556.428231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)CC2=CC=C(C=C2)C(F)(F)F)NC(=O)C(CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)C

Isomeric SMILES

C[C@@H](C1=NC(=NO1)CC2=CC=C(C=C2)C(F)(F)F)NC(=O)[C@H](CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)C

InChI

InChI=1S/C23H24F3N4O7P/c1-13(22-29-20(30-36-22)12-16-3-7-17(8-4-16)23(24,25)26)27-21(32)19(28-14(2)31)11-15-5-9-18(10-6-15)37-38(33,34)35/h3-10,13,19H,11-12H2,1-2H3,(H,27,32)(H,28,31)(H2,33,34,35)/t13-,19-/m0/s1