(2S,4S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-phenethyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-phenethyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-phenethyl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-phenethyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(2-methyl-3-sulfanylpropanoyl)-4-phenethylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-(3-mercapto-2-methyl-propanoyl)-4-phenethyl-proline Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)CCC2=CC=CC=C2

Isomeric SMILES

CC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)CCC2=CC=CC=C2

InChI

InChI=1S/C17H23NO3S/c1-12(11-22)16(19)18-10-14(9-15(18)17(20)21)8-7-13-5-3-2-4-6-13/h2-6,12,14-15,22H,7-11H2,1H3,(H,20,21)/t12?,14-,15-/m0/s1