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

Systemtic Name: 2-[[[2,5-bis(fluoranyl)phenyl]methyl-ethanoyl-amino]methyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[[acetyl-[(2,5-difluorophenyl)methyl]amino]methyl]-4-acetylsulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 2-[[acetyl-[(2,5-difluorophenyl)methyl]amino]methyl]-4-(acetylthio)-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[acetyl-[(2,5-difluorophenyl)methyl]amino]methyl]-4-acetylsulfanylpyrrolidine-1-carboxylic acid Traditional Name: 2-[[acetyl-(2,5-difluorobenzyl)amino]methyl]-4-(acetylthio)pyrrolidine-1-carboxylic acid Formula: C17H20F2N2O4S MolecularWeight: 386.413506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1CC(CN1C(=O)O)SC(=O)C)CC2=C(C=CC(=C2)F)F

Isomeric SMILES

CC(=O)N(CC1CC(CN1C(=O)O)SC(=O)C)CC2=C(C=CC(=C2)F)F

InChI

InChI=1S/C17H20F2N2O4S/c1-10(22)20(7-12-5-13(18)3-4-16(12)19)8-14-6-15(26-11(2)23)9-21(14)17(24)25/h3-5,14-15H,6-9H2,1-2H3,(H,24,25)