(2S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-naphthalen-1-yl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-naphthalen-1-yl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-4-hydroxy-1-(2-methyl-3-sulfanyl-propanoyl)-4-(1-naphthyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-hydroxy-1-(3-mercapto-2-methyl-1-oxopropyl)-4-(1-naphthalenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-4-hydroxy-1-(2-methyl-3-sulfanylpropanoyl)-4-naphthalen-1-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-4-hydroxy-1-(3-mercapto-2-methyl-propanoyl)-4-(1-naphthyl)proline Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)(C2=CC=CC3=CC=CC=C32)O

Isomeric SMILES

CC(CS)C(=O)N1CC(C[C@H]1C(=O)O)(C2=CC=CC3=CC=CC=C32)O

InChI

InChI=1S/C19H21NO4S/c1-12(10-25)17(21)20-11-19(24,9-16(20)18(22)23)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,12,16,24-25H,9-11H2,1H3,(H,22,23)/t12?,16-,19?/m0/s1