pentyl (2S,4R)-2-[methyl-(phenylmethyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: pentyl (2S,4R)-2-[methyl-(phenylmethyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: pentyl (2S,4R)-2-[benzyl(methyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-4-mercapto-2-[[methyl-(phenylmethyl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid pentyl ester IUPAC Name: pentyl (2S,4R)-2-[benzyl(methyl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-[benzyl(methyl)carbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid amyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N1CC(CC1C(=O)N(C)CC2=CC=CC=C2)S

Isomeric SMILES

CCCCCOC(=O)N1C[C@@H](C[C@H]1C(=O)N(C)CC2=CC=CC=C2)S

InChI

InChI=1S/C19H28N2O3S/c1-3-4-8-11-24-19(23)21-14-16(25)12-17(21)18(22)20(2)13-15-9-6-5-7-10-15/h5-7,9-10,16-17,25H,3-4,8,11-14H2,1-2H3/t16-,17+/m1/s1