2-[[bis[[2,5-bis(fluoranyl)phenyl]methyl]amino]methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[bis[[2,5-bis(fluoranyl)phenyl]methyl]amino]methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[[bis[(2,5-difluorophenyl)methyl]amino]methyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 2-[[bis[(2,5-difluorophenyl)methyl]amino]methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[bis[(2,5-difluorophenyl)methyl]amino]methyl]-4-tritylsulfanylpyrrolidine-1-carboxylic acid Traditional Name: 2-[[bis(2,5-difluorobenzyl)amino]methyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid Formula: C39H34F4N2O2S MolecularWeight: 670.758073

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CN(CC2=C(C=CC(=C2)F)F)CC3=C(C=CC(=C3)F)F)C(=O)O)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C(CN(C1CN(CC2=C(C=CC(=C2)F)F)CC3=C(C=CC(=C3)F)F)C(=O)O)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H34F4N2O2S/c40-32-16-18-36(42)27(20-32)23-44(24-28-21-33(41)17-19-37(28)43)25-34-22-35(26-45(34)38(46)47)48-39(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-21,34-35H,22-26H2,(H,46,47)