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

Systemtic Name: 2-[[[2,5-bis(fluoranyl)phenyl]methyl-phenylmethoxycarbonyl-amino]methyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 4-acetylsulfanyl-2-[[benzyloxycarbonyl-[(2,5-difluorophenyl)methyl]amino]methyl]pyrrolidine-1-carboxylic acid CAS Name: 4-(acetylthio)-2-[[(2,5-difluorophenyl)methyl-phenylmethoxycarbonylamino]methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 4-acetylsulfanyl-2-[[(2,5-difluorophenyl)methyl-phenylmethoxycarbonylamino]methyl]pyrrolidine-1-carboxylic acid Traditional Name: 4-(acetylthio)-2-[[carbobenzoxy-(2,5-difluorobenzyl)amino]methyl]pyrrolidine-1-carboxylic acid Formula: C23H24F2N2O5S MolecularWeight: 478.508866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)O)CN(CC2=C(C=CC(=C2)F)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)O)CN(CC2=C(C=CC(=C2)F)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H24F2N2O5S/c1-15(28)33-20-10-19(27(13-20)22(29)30)12-26(11-17-9-18(24)7-8-21(17)25)23(31)32-14-16-5-3-2-4-6-16/h2-9,19-20H,10-14H2,1H3,(H,29,30)