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

Systemtic Name: 2-[[[2,5-bis(fluoranyl)phenyl]methyl-phenylmethoxycarbonyl-amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[[benzyloxycarbonyl-[(2,5-difluorophenyl)methyl]amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 2-[[(2,5-difluorophenyl)methyl-phenylmethoxycarbonylamino]methyl]-4-mercapto-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[(2,5-difluorophenyl)methyl-phenylmethoxycarbonylamino]methyl]-4-sulfanylpyrrolidine-1-carboxylic acid Traditional Name: 2-[[carbobenzoxy-(2,5-difluorobenzyl)amino]methyl]-4-mercapto-pyrrolidine-1-carboxylic acid Formula: C21H22F2N2O4S MolecularWeight: 436.472186

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CN(CC2=C(C=CC(=C2)F)F)C(=O)OCC3=CC=CC=C3)C(=O)O)S

Isomeric SMILES

C1C(CN(C1CN(CC2=C(C=CC(=C2)F)F)C(=O)OCC3=CC=CC=C3)C(=O)O)S

InChI

InChI=1S/C21H22F2N2O4S/c22-16-6-7-19(23)15(8-16)10-24(11-17-9-18(30)12-25(17)20(26)27)21(28)29-13-14-4-2-1-3-5-14/h1-8,17-18,30H,9-13H2,(H,26,27)