(2S)-1-[2-methyl-3-[(4-methylphenyl)disulfanyl]propanoyl]-3-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-methyl-3-[(4-methylphenyl)disulfanyl]propanoyl]-3-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-3-hydroxy-1-[2-methyl-3-(p-tolyldisulfanyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-3-hydroxy-1-[2-methyl-3-[(4-methylphenyl)disulfanyl]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-3-hydroxy-1-[2-methyl-3-[(4-methylphenyl)disulfanyl]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-3-hydroxy-1-[2-methyl-3-(p-tolyldisulfanyl)propanoyl]proline Formula: C16H21NO4S2 MolecularWeight: 355.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SSCC(C)C(=O)N2CCC(C2C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)SSCC(C)C(=O)N2CCC([C@H]2C(=O)O)O

InChI

InChI=1S/C16H21NO4S2/c1-10-3-5-12(6-4-10)23-22-9-11(2)15(19)17-8-7-13(18)14(17)16(20)21/h3-6,11,13-14,18H,7-9H2,1-2H3,(H,20,21)/t11?,13?,14-/m0/s1