2-[[1-[(3-phenyl-2-sulfanyl-propanoyl)amino]cyclopentyl]carbonylamino]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid

Systemtic Name: 2-[[1-[(3-phenyl-2-sulfanyl-propanoyl)amino]cyclopentyl]carbonylamino]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid Openeye Name: 2-[[1-[(3-phenyl-2-sulfanyl-propanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-1-oxo-3-phenylpropyl)amino]cyclopentyl]-oxomethyl]amino]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid IUPAC Name: 2-[[1-[(3-phenyl-2-sulfanylpropanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid Traditional Name: 2-[[1-[(2-mercapto-3-phenyl-propanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propionic acid Formula: C31H31F3N2O4S MolecularWeight: 584.64905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)O)NC(=O)C(CC4=CC=CC=C4)S

Isomeric SMILES

C1CCC(C1)(C(=O)NC(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)O)NC(=O)C(CC4=CC=CC=C4)S

InChI

InChI=1S/C31H31F3N2O4S/c32-31(33,34)24-14-12-23(13-15-24)22-10-8-21(9-11-22)18-25(28(38)39)35-29(40)30(16-4-5-17-30)36-27(37)26(41)19-20-6-2-1-3-7-20/h1-3,6-15,25-26,41H,4-5,16-19H2,(H,35,40)(H,36,37)(H,38,39)