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

Systemtic Name: propan-2-yl (2S,4R)-2-[methyl-(phenylmethyl)carbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (2S,4R)-2-[benzyl(methyl)carbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-[benzyl(methyl)carbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid isopropyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3S/c1-12(2)22-17(21)19-11-14(23)9-15(19)16(20)18(3)10-13-7-5-4-6-8-13/h4-8,12,14-15,23H,9-11H2,1-3H3/t14-,15+/m1/s1