[(Z)-[1-azanyl-2-[4-(trifluoromethyl)phenyl]ethylidene]amino] (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [(Z)-[1-azanyl-2-[4-(trifluoromethyl)phenyl]ethylidene]amino] (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [(Z)-[1-amino-2-[4-(trifluoromethyl)phenyl]ethylidene]amino] (2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [(Z)-[1-amino-2-[4-(trifluoromethyl)phenyl]ethylidene]amino] ester IUPAC Name: [(Z)-[1-amino-2-[4-(trifluoromethyl)phenyl]ethylidene]amino] (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propionic acid [(Z)-[1-amino-2-[4-(trifluoromethyl)phenyl]ethylidene]amino] ester Formula: C25H27F3N4O4 MolecularWeight: 504.50149

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)ON=C(CC3=CC=C(C=C3)C(F)(F)F)N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O/N=C(/CC3=CC=C(C=C3)C(F)(F)F)\N

InChI

InChI=1S/C25H27F3N4O4/c1-24(2,3)35-23(34)31-20(13-16-14-30-19-7-5-4-6-18(16)19)22(33)36-32-21(29)12-15-8-10-17(11-9-15)25(26,27)28/h4-11,14,20,30H,12-13H2,1-3H3,(H2,29,32)(H,31,34)/t20-/m0/s1