methyl (2S,3R)-3-oxidanyl-2-[[3-oxidanyl-4-(trifluoromethyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl (2S,3R)-3-oxidanyl-2-[[3-oxidanyl-4-(trifluoromethyl)phenyl]carbonylamino]butanoate Openeye Name: methyl (2S,3R)-3-hydroxy-2-[[3-hydroxy-4-(trifluoromethyl)benzoyl]amino]butanoate CAS Name: (2S,3R)-3-hydroxy-2-[[[3-hydroxy-4-(trifluoromethyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-hydroxy-2-[[3-hydroxy-4-(trifluoromethyl)benzoyl]amino]butanoate Traditional Name: (2S,3R)-3-hydroxy-2-[[3-hydroxy-4-(trifluoromethyl)benzoyl]amino]butyric acid methyl ester Formula: C13H14F3NO5 MolecularWeight: 321.24917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC)NC(=O)C1=CC(=C(C=C1)C(F)(F)F)O)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)OC)NC(=O)C1=CC(=C(C=C1)C(F)(F)F)O)O

InChI

InChI=1S/C13H14F3NO5/c1-6(18)10(12(21)22-2)17-11(20)7-3-4-8(9(19)5-7)13(14,15)16/h3-6,10,18-19H,1-2H3,(H,17,20)/t6-,10+/m1/s1