(2S)-1-[2-methyl-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-methyl-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-methyl-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-methyl-2-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-2-methyl-propanoyl]proline Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCCC1C(=O)O)NC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

CC(C)(C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)S

InChI

InChI=1S/C18H24N2O4S/c1-18(2,17(24)20-10-6-9-13(20)16(22)23)19-15(21)14(25)11-12-7-4-3-5-8-12/h3-5,7-8,13-14,25H,6,9-11H2,1-2H3,(H,19,21)(H,22,23)/t13-,14-/m0/s1