3-[[4-[[3-tert-butyl-8,10-bis(oxidanylidene)-9-[4-(trifluoromethyloxy)phenyl]-9,11-diazaspiro[5.5]undecan-11-yl]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[3-tert-butyl-8,10-bis(oxidanylidene)-9-[4-(trifluoromethyloxy)phenyl]-9,11-diazaspiro[5.5]undecan-11-yl]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[3-tert-butyl-8,10-dioxo-9-[4-(trifluoromethoxy)phenyl]-9,11-diazaspiro[5.5]undecan-11-yl]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[3-tert-butyl-8,10-dioxo-9-[4-(trifluoromethoxy)phenyl]-9,11-diazaspiro[5.5]undecan-11-yl]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[3-tert-butyl-8,10-dioxo-9-[4-(trifluoromethoxy)phenyl]-9,11-diazaspiro[5.5]undecan-11-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[3-tert-butyl-8,10-diketo-9-[4-(trifluoromethoxy)phenyl]-9,11-diazaspiro[5.5]undecan-11-yl]methyl]benzoyl]amino]propionic acid Formula: C31H36F3N3O6 MolecularWeight: 603.62925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2(CC1)CC(=O)N(C(=O)N2CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CC(C)(C)C1CCC2(CC1)CC(=O)N(C(=O)N2CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C31H36F3N3O6/c1-29(2,3)22-12-15-30(16-13-22)18-25(38)37(23-8-10-24(11-9-23)43-31(32,33)34)28(42)36(30)19-20-4-6-21(7-5-20)27(41)35-17-14-26(39)40/h4-11,22H,12-19H2,1-3H3,(H,35,41)(H,39,40)