3-[[4-[[1,4-dithiaspiro[4.5]decan-8-yl-[[4-(trifluoromethyloxy)phenyl]carbamoyl]amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[1,4-dithiaspiro[4.5]decan-8-yl-[[4-(trifluoromethyloxy)phenyl]carbamoyl]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[1,4-dithiaspiro[4.5]decan-8-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[1,4-dithiaspiro[4.5]decan-8-yl-[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[1,4-dithiaspiro[4.5]decan-8-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[1,4-dithiaspiro[4.5]decan-8-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]benzoyl]amino]propionic acid Formula: C27H30F3N3O5S2 MolecularWeight: 597.66941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C(=O)NC4=CC=C(C=C4)OC(F)(F)F)SCCS2

Isomeric SMILES

C1CC2(CCC1N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C(=O)NC4=CC=C(C=C4)OC(F)(F)F)SCCS2

InChI

InChI=1S/C27H30F3N3O5S2/c28-27(29,30)38-22-7-5-20(6-8-22)32-25(37)33(21-9-12-26(13-10-21)39-15-16-40-26)17-18-1-3-19(4-2-18)24(36)31-14-11-23(34)35/h1-8,21H,9-17H2,(H,31,36)(H,32,37)(H,34,35)