(2S,4S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-4-naphthalen-2-yloxy-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-4-naphthalen-2-yloxy-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-4-(2-naphthyloxy)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-4-(2-naphthalenyloxy)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-[(2S)-3-mercapto-2-methyl-propanoyl]-4-(2-naphthoxy)proline Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)OC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)OC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H21NO4S/c1-12(11-25)18(21)20-10-16(9-17(20)19(22)23)24-15-7-6-13-4-2-3-5-14(13)8-15/h2-8,12,16-17,25H,9-11H2,1H3,(H,22,23)/t12-,16+,17+/m1/s1