(2R)-2-[[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: (2R)-2-[[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: (2R)-3-benzylsulfanyl-2-[[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]oxazole-4-carbonyl]amino]propanoic acid CAS Name: (2R)-2-[[[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]-4-oxazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: (2R)-3-benzylsulfanyl-2-[[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid Traditional Name: (2R)-3-(benzylthio)-2-[[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]oxazole-4-carbonyl]amino]propionic acid Formula: C30H23F3N4O5S MolecularWeight: 608.58763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)C3=C(N=C(O3)C4=CC=C(C=C4)C(F)(F)F)C(=O)NC(CSCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)C3=C(N=C(O3)C4=CC=C(C=C4)C(F)(F)F)C(=O)N[C@@H](CSCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H23F3N4O5S/c1-17-34-26(37-42-17)20-9-7-19(8-10-20)25-24(36-28(41-25)21-11-13-22(14-12-21)30(31,32)33)27(38)35-23(29(39)40)16-43-15-18-5-3-2-4-6-18/h2-14,23H,15-16H2,1H3,(H,35,38)(H,39,40)/t23-/m0/s1