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

Systemtic Name: 5-[[[3-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-1,3-thiazolidin-2-yl]carbonylamino]methyl]-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]thiazolidine-2-carbonyl]amino]methyl]-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-[[[[3-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-2-thiazolidinyl]-oxomethyl]amino]methyl]-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]amino]methyl]-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]thiazolidine-2-carbonyl]amino]methyl]-1,3-benzodioxole-2-carboxylic acid Formula: C23H22F3N3O6S MolecularWeight: 525.49749

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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=CC4=C(C=C3)OC(O4)C(=O)O

Isomeric SMILES

C1CSC(N1C(=O)C[C@@H](CC2=CC(=C(C=C2F)F)F)N)C(=O)NCC3=CC4=C(C=C3)OC(O4)C(=O)O

InChI

InChI=1S/C23H22F3N3O6S/c24-14-9-16(26)15(25)7-12(14)6-13(27)8-19(30)29-3-4-36-21(29)20(31)28-10-11-1-2-17-18(5-11)35-23(34-17)22(32)33/h1-2,5,7,9,13,21,23H,3-4,6,8,10,27H2,(H,28,31)(H,32,33)/t13-,21?,23?/m1/s1