(2S)-1-(3-ethanoylsulfanylbutanoyl)-4-oxidanyl-4-pyridin-3-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(3-ethanoylsulfanylbutanoyl)-4-oxidanyl-4-pyridin-3-yl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanylbutanoyl)-4-hydroxy-4-(3-pyridyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-1-oxobutyl]-4-hydroxy-4-(3-pyridinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanylbutanoyl)-4-hydroxy-4-pyridin-3-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)butanoyl]-4-hydroxy-4-(3-pyridyl)proline Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC(CC1C(=O)O)(C2=CN=CC=C2)O)SC(=O)C

Isomeric SMILES

CC(CC(=O)N1CC(C[C@H]1C(=O)O)(C2=CN=CC=C2)O)SC(=O)C

InChI

InChI=1S/C16H20N2O5S/c1-10(24-11(2)19)6-14(20)18-9-16(23,7-13(18)15(21)22)12-4-3-5-17-8-12/h3-5,8,10,13,23H,6-7,9H2,1-2H3,(H,21,22)/t10?,13-,16?/m0/s1