(2S)-3-(4-nitrophenyl)-2-[[(3R)-1,1,4-tris(oxidanylidene)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,5-thiadiazolidin-3-yl]amino]propanoic acid

Systemtic Name: (2S)-3-(4-nitrophenyl)-2-[[(3R)-1,1,4-tris(oxidanylidene)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,5-thiadiazolidin-3-yl]amino]propanoic acid Openeye Name: (2S)-3-(4-nitrophenyl)-2-[[(3R)-1,1,4-trioxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,5-thiadiazolidin-3-yl]amino]propanoic acid CAS Name: (2S)-3-(4-nitrophenyl)-2-[[(3R)-1,1,4-trioxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,5-thiadiazolidin-3-yl]amino]propanoic acid IUPAC Name: (2S)-3-(4-nitrophenyl)-2-[[(3R)-1,1,4-trioxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,5-thiadiazolidin-3-yl]amino]propanoic acid Traditional Name: (2S)-3-(4-nitrophenyl)-2-[[(3R)-1,1,4-triketo-2-[3-(trifluoromethyl)benzyl]-1,2,5-thiadiazolidin-3-yl]amino]propionic acid Formula: C19H17F3N4O7S MolecularWeight: 502.42109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C(C(=O)NS2(=O)=O)NC(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN2[C@H](C(=O)NS2(=O)=O)N[C@@H](CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H17F3N4O7S/c20-19(21,22)13-3-1-2-12(8-13)10-25-16(17(27)24-34(25,32)33)23-15(18(28)29)9-11-4-6-14(7-5-11)26(30)31/h1-8,15-16,23H,9-10H2,(H,24,27)(H,28,29)/t15-,16+/m0/s1