(2S,5S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-5-(phenylmethylsulfanyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,5S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-5-(phenylmethylsulfanyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,5S)-5-benzylsulfanyl-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S,5S)-1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-5-(phenylmethylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,5S)-5-benzylsulfanyl-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,5S)-5-(benzylthio)-1-[(2S)-3-mercapto-2-methyl-propanoyl]proline Formula: C16H21NO3S2 MolecularWeight: 339.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(CCC1SCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C[C@H](CS)C(=O)N1[C@@H](CC[C@@H]1SCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H21NO3S2/c1-11(9-21)15(18)17-13(16(19)20)7-8-14(17)22-10-12-5-3-2-4-6-12/h2-6,11,13-14,21H,7-10H2,1H3,(H,19,20)/t11-,13+,14+/m1/s1