(phenylmethyl) 3-fluoranyl-3-[(hexanoylamino)-sulfanyl-methyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-fluoranyl-3-[(hexanoylamino)-sulfanyl-methyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 3-fluoro-3-[(hexanoylamino)-sulfanyl-methyl]pyrrolidine-1-carboxylate CAS Name: 3-fluoro-3-[mercapto-(1-oxohexylamino)methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-fluoro-3-[(hexanoylamino)-sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: 3-[(caproylamino)-mercapto-methyl]-3-fluoro-pyrrolidine-1-carboxylic acid benzyl ester Formula: C19H27FN2O3S MolecularWeight: 382.492683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(C1(CCN(C1)C(=O)OCC2=CC=CC=C2)F)S

Isomeric SMILES

CCCCCC(=O)NC(C1(CCN(C1)C(=O)OCC2=CC=CC=C2)F)S

InChI

InChI=1S/C19H27FN2O3S/c1-2-3-5-10-16(23)21-17(26)19(20)11-12-22(14-19)18(24)25-13-15-8-6-4-7-9-15/h4,6-9,17,26H,2-3,5,10-14H2,1H3,(H,21,23)