(2S)-1-[(2R,3S)-3-ethanoylsulfanyl-2-methyl-4-naphthalen-1-yl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2R,3S)-3-ethanoylsulfanyl-2-methyl-4-naphthalen-1-yl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2R,3S)-3-acetylsulfanyl-2-methyl-4-(1-naphthyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2R,3S)-3-(acetylthio)-2-methyl-4-(1-naphthalenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2R,3S)-3-acetylsulfanyl-2-methyl-4-naphthalen-1-yl-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2R,3S)-3-(acetylthio)-4-keto-2-methyl-4-(1-naphthyl)butanoyl]proline Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC=CC2=CC=CC=C21)SC(=O)C)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)C1=CC=CC2=CC=CC=C21)SC(=O)C)C(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C22H23NO5S/c1-13(21(26)23-12-6-11-18(23)22(27)28)20(29-14(2)24)19(25)17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,13,18,20H,6,11-12H2,1-2H3,(H,27,28)/t13-,18-,20-/m0/s1