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

Systemtic Name: 2-[[[2,5-bis(fluoranyl)phenyl]methyl-ethanoyl-amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[[acetyl-[(2,5-difluorophenyl)methyl]amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 2-[[acetyl-[(2,5-difluorophenyl)methyl]amino]methyl]-4-mercapto-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[acetyl-[(2,5-difluorophenyl)methyl]amino]methyl]-4-sulfanylpyrrolidine-1-carboxylic acid Traditional Name: 2-[[acetyl-(2,5-difluorobenzyl)amino]methyl]-4-mercapto-pyrrolidine-1-carboxylic acid Formula: C15H18F2N2O3S MolecularWeight: 344.376826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F2N2O3S/c1-9(20)18(6-10-4-11(16)2-3-14(10)17)7-12-5-13(23)8-19(12)15(21)22/h2-4,12-13,23H,5-8H2,1H3,(H,21,22)