(2S)-1-[4-(acetamidomethylsulfanyl)-2-methyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[4-(acetamidomethylsulfanyl)-2-methyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[4-(acetamidomethylsulfanyl)-2-methyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[4-(acetamidomethylthio)-2-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[4-(acetamidomethylsulfanyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[4-(acetamidomethylthio)-2-methyl-butanoyl]proline Formula: C13H22N2O4S MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSCNC(=O)C)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CC(CCSCNC(=O)C)C(=O)N1CCC[C@H]1C(=O)O

InChI

InChI=1S/C13H22N2O4S/c1-9(5-7-20-8-14-10(2)16)12(17)15-6-3-4-11(15)13(18)19/h9,11H,3-8H2,1-2H3,(H,14,16)(H,18,19)/t9?,11-/m0/s1