[4-[(2S)-2-[2-(1H-indol-3-yl)ethanoylamino]-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-[2-(1H-indol-3-yl)ethanoylamino]-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-[[2-(1H-indol-3-yl)acetyl]amino]-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-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-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-[[2-(1H-indol-3-yl)acetyl]amino]-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-[[2-(1H-indol-3-yl)acetyl]amino]-3-keto-3-[[(1S)-1-[3-[4-(trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]propyl]phenyl] dihydrogen phosphate Formula: C31H29F3N5O7P MolecularWeight: 671.560231

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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)CC4=CNC5=CC=CC=C54

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)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C31H29F3N5O7P/c1-18(30-38-27(39-45-30)15-20-6-10-22(11-7-20)31(32,33)34)36-29(41)26(14-19-8-12-23(13-9-19)46-47(42,43)44)37-28(40)16-21-17-35-25-5-3-2-4-24(21)25/h2-13,17-18,26,35H,14-16H2,1H3,(H,36,41)(H,37,40)(H2,42,43,44)/t18-,26-/m0/s1