[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-3-(1H-indol-3-yl)-2-[(1-methylsulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)carbonylamino]propanoate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methyl (2S)-3-(1H-indol-3-yl)-2-[(1-methylsulfanylspiro[2H-indole-3,4'-piperidine]-1'-yl)carbonylamino]propanoate Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methyl (2S)-3-(1H-indol-3-yl)-2-[(1-methylsulfanylspiro[indoline-3,4'-piperidine]-1'-carbonyl)amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[[1-(methylthio)-1'-spiro[2H-indole-3,4'-piperidine]yl]-oxomethyl]amino]propanoic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methyl (2S)-3-(1H-indol-3-yl)-2-[(1-methylsulfanylspiro[2H-indole-3,4'-piperidine]-1'-carbonyl)amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[1-(methylthio)spiro[indoline-3,4'-piperidine]-1'-carbonyl]amino]propionic acid [3,5-bis(trifluoromethyl)benzyl] ester Formula: C34H32F6N4O3S MolecularWeight: 690.698299

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Descriptors Computed from Structure

Canonical SMILES:

CSN1CC2(CCN(CC2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC=CC=C61

Isomeric SMILES

CSN1CC2(CCN(CC2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)OCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC=CC=C61

InChI

InChI=1S/C34H32F6N4O3S/c1-48-44-20-32(26-7-3-5-9-29(26)44)10-12-43(13-11-32)31(46)42-28(16-22-18-41-27-8-4-2-6-25(22)27)30(45)47-19-21-14-23(33(35,36)37)17-24(15-21)34(38,39)40/h2-9,14-15,17-18,28,41H,10-13,16,19-20H2,1H3,(H,42,46)/t28-/m0/s1