2-[4-[[[3-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-1,3-thiazolidin-2-yl]carbonylamino]methyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[[[3-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-1,3-thiazolidin-2-yl]carbonylamino]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]thiazolidine-2-carbonyl]amino]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[[[[3-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-2-thiazolidinyl]-oxomethyl]amino]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]thiazolidine-2-carbonyl]amino]methyl]phenoxy]-2-methyl-propionic acid Formula: C25H28F3N3O5S MolecularWeight: 539.56713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)CNC(=O)C2N(CCS2)C(=O)CC(CC3=CC(=C(C=C3F)F)F)N

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)CNC(=O)C2N(CCS2)C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N

InChI

InChI=1S/C25H28F3N3O5S/c1-25(2,24(34)35)36-17-5-3-14(4-6-17)13-30-22(33)23-31(7-8-37-23)21(32)11-16(29)9-15-10-19(27)20(28)12-18(15)26/h3-6,10,12,16,23H,7-9,11,13,29H2,1-2H3,(H,30,33)(H,34,35)/t16-,23?/m1/s1