(2S,4R)-4-naphthalen-2-yl-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-4-naphthalen-2-yl-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-(2-naphthyl)-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-(3-mercapto-1-oxopropyl)-4-(2-naphthalenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-naphthalen-2-yl-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-(3-mercaptopropanoyl)-4-(2-naphthyl)proline Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)CCS)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1[C@@H](CN([C@@H]1C(=O)O)C(=O)CCS)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H19NO3S/c20-17(7-8-23)19-11-15(10-16(19)18(21)22)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,15-16,23H,7-8,10-11H2,(H,21,22)/t15-,16-/m0/s1