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

Systemtic Name: (2R)-2-[4-[[[3-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-1,3-thiazolidin-2-yl]carbonylamino]methyl]phenoxy]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]thiazolidine-2-carbonyl]amino]methyl]phenoxy]-3-phenyl-propanoic acid CAS Name: (2R)-2-[4-[[[[3-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-2-thiazolidinyl]-oxomethyl]amino]methyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]amino]methyl]phenoxy]-3-phenylpropanoic acid Traditional Name: (2R)-2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]thiazolidine-2-carbonyl]amino]methyl]phenoxy]-3-phenyl-propionic acid Formula: C30H30F3N3O5S MolecularWeight: 601.63651

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(N1C(=O)CC(CC2=CC(=C(C=C2F)F)F)N)C(=O)NCC3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CSC(N1C(=O)C[C@@H](CC2=CC(=C(C=C2F)F)F)N)C(=O)NCC3=CC=C(C=C3)O[C@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H30F3N3O5S/c31-23-16-25(33)24(32)14-20(23)13-21(34)15-27(37)36-10-11-42-29(36)28(38)35-17-19-6-8-22(9-7-19)41-26(30(39)40)12-18-4-2-1-3-5-18/h1-9,14,16,21,26,29H,10-13,15,17,34H2,(H,35,38)(H,39,40)/t21-,26-,29?/m1/s1