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

Systemtic Name: 2-[[[2,5-bis(fluoranyl)phenyl]methyl-phenylmethoxycarbonyl-amino]methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[[benzyloxycarbonyl-[(2,5-difluorophenyl)methyl]amino]methyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 2-[[(2,5-difluorophenyl)methyl-phenylmethoxycarbonylamino]methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[(2,5-difluorophenyl)methyl-phenylmethoxycarbonylamino]methyl]-4-tritylsulfanylpyrrolidine-1-carboxylic acid Traditional Name: 2-[[carbobenzoxy-(2,5-difluorobenzyl)amino]methyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid Formula: C40H36F2N2O4S MolecularWeight: 678.786646

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CN(CC2=C(C=CC(=C2)F)F)C(=O)OCC3=CC=CC=C3)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)C(=O)OCC3=CC=CC=C3)C(=O)O)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C40H36F2N2O4S/c41-34-21-22-37(42)30(23-34)25-43(39(47)48-28-29-13-5-1-6-14-29)26-35-24-36(27-44(35)38(45)46)49-40(31-15-7-2-8-16-31,32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-23,35-36H,24-28H2,(H,45,46)