3-[[4-[[1,2,3,4-tetrahydronaphthalen-1-yl-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[1,2,3,4-tetrahydronaphthalen-1-yl-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[tetralin-1-yl-[4-[4-(trifluoromethyl)phenyl]thiazol-2-yl]amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[[1,2,3,4-tetrahydronaphthalen-1-yl-[4-[4-(trifluoromethyl)phenyl]-2-thiazolyl]amino]methyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[[1,2,3,4-tetrahydronaphthalen-1-yl-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[tetralin-1-yl-[4-[4-(trifluoromethyl)phenyl]thiazol-2-yl]amino]methyl]benzoyl]amino]propionic acid Formula: C31H28F3N3O3S MolecularWeight: 579.63253

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=NC(=CS4)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=NC(=CS4)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C31H28F3N3O3S/c32-31(33,34)24-14-12-22(13-15-24)26-19-41-30(36-26)37(27-7-3-5-21-4-1-2-6-25(21)27)18-20-8-10-23(11-9-20)29(40)35-17-16-28(38)39/h1-2,4,6,8-15,19,27H,3,5,7,16-18H2,(H,35,40)(H,38,39)