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

Systemtic Name: (2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-naphthalen-1-yl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-hydroxy-4-(1-naphthyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-hydroxy-4-(1-naphthalenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-hydroxy-4-naphthalen-1-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-hydroxy-4-(1-naphthyl)proline Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-13(11-28-14(2)23)19(24)22-12-21(27,10-18(22)20(25)26)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,13,18,27H,10-12H2,1-2H3,(H,25,26)/t13?,18-,21?/m0/s1