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

Systemtic Name: 2-[[[2,5-bis(fluoranyl)phenyl]methyl-(carboxymethyl)amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[[carboxymethyl-[(2,5-difluorophenyl)methyl]amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 2-[[carboxymethyl-[(2,5-difluorophenyl)methyl]amino]methyl]-4-mercapto-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[carboxymethyl-[(2,5-difluorophenyl)methyl]amino]methyl]-4-sulfanylpyrrolidine-1-carboxylic acid Traditional Name: 2-[[carboxymethyl-(2,5-difluorobenzyl)amino]methyl]-4-mercapto-pyrrolidine-1-carboxylic acid Formula: C15H18F2N2O4S MolecularWeight: 360.376226

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CN(CC2=C(C=CC(=C2)F)F)CC(=O)O)C(=O)O)S

Isomeric SMILES

C1C(CN(C1CN(CC2=C(C=CC(=C2)F)F)CC(=O)O)C(=O)O)S

InChI

InChI=1S/C15H18F2N2O4S/c16-10-1-2-13(17)9(3-10)5-18(8-14(20)21)6-11-4-12(24)7-19(11)15(22)23/h1-3,11-12,24H,4-8H2,(H,20,21)(H,22,23)