(2S)-2-[4-[(4-methoxycarbonylphenyl)methyl-[4-(trifluoromethyloxy)phenyl]sulfonyl-amino]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[4-[(4-methoxycarbonylphenyl)methyl-[4-(trifluoromethyloxy)phenyl]sulfonyl-amino]phenoxy]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[4-[(4-methoxycarbonylphenyl)methyl-[4-(trifluoromethoxy)phenyl]sulfonyl-amino]phenoxy]-3-phenyl-propanoic acid CAS Name: (2S)-2-[4-[(4-methoxycarbonylphenyl)methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]phenoxy]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[4-[(4-methoxycarbonylphenyl)methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]phenoxy]-3-phenylpropanoic acid Traditional Name: (2S)-2-[4-[(4-carbomethoxybenzyl)-[4-(trifluoromethoxy)phenyl]sulfonyl-amino]phenoxy]-3-phenyl-propionic acid Formula: C31H26F3NO8S MolecularWeight: 629.60025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)OC(CC3=CC=CC=C3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)O[C@@H](CC3=CC=CC=C3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C31H26F3NO8S/c1-41-30(38)23-9-7-22(8-10-23)20-35(44(39,40)27-17-15-26(16-18-27)43-31(32,33)34)24-11-13-25(14-12-24)42-28(29(36)37)19-21-5-3-2-4-6-21/h2-18,28H,19-20H2,1H3,(H,36,37)/t28-/m0/s1