(4-methoxyphenyl)methyl (2S,4S)-2-(acetamidomethyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (2S,4S)-2-(acetamidomethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-methoxyphenyl)methyl (2S,4S)-2-(acetamidomethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-(acetamidomethyl)-4-mercapto-1-pyrrolidinecarboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (2S,4S)-2-(acetamidomethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-(acetamidomethyl)-4-mercapto-pyrrolidine-1-carboxylic acid p-anisyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CC(CN1C(=O)OCC2=CC=C(C=C2)OC)S

Isomeric SMILES

CC(=O)NC[C@@H]1C[C@@H](CN1C(=O)OCC2=CC=C(C=C2)OC)S

InChI

InChI=1S/C16H22N2O4S/c1-11(19)17-8-13-7-15(23)9-18(13)16(20)22-10-12-3-5-14(21-2)6-4-12/h3-6,13,15,23H,7-10H2,1-2H3,(H,17,19)/t13-,15-/m0/s1