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

Systemtic Name: 2-[[[2,5-bis(fluoranyl)phenyl]methylamino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[[(2,5-difluorophenyl)methylamino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 2-[[(2,5-difluorophenyl)methylamino]methyl]-4-mercapto-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[(2,5-difluorophenyl)methylamino]methyl]-4-sulfanylpyrrolidine-1-carboxylic acid Traditional Name: 2-[[(2,5-difluorobenzyl)amino]methyl]-4-mercapto-pyrrolidine-1-carboxylic acid Formula: C13H16F2N2O2S MolecularWeight: 302.340146

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CNCC2=C(C=CC(=C2)F)F)C(=O)O)S

Isomeric SMILES

C1C(CN(C1CNCC2=C(C=CC(=C2)F)F)C(=O)O)S

InChI

InChI=1S/C13H16F2N2O2S/c14-9-1-2-12(15)8(3-9)5-16-6-10-4-11(20)7-17(10)13(18)19/h1-3,10-11,16,20H,4-7H2,(H,18,19)