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

Systemtic Name: (2S,4S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(phenylmethyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-benzyl-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-(phenylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-benzyl-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-4-benzyl-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3S/c1-11(10-21)15(18)17-9-13(8-14(17)16(19)20)7-12-5-3-2-4-6-12/h2-6,11,13-14,21H,7-10H2,1H3,(H,19,20)/t11?,13-,14-/m0/s1