(2S,4S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-(furan-3-ylmethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-(furan-3-ylmethyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(3-furylmethyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-(3-furanylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-(furan-3-ylmethyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-(3-furfuryl)proline Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)CC2=COC=C2

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C[C@H](C[C@H]1C(=O)O)CC2=COC=C2

InChI

InChI=1S/C16H21NO5S/c1-10(9-23-11(2)18)15(19)17-7-13(6-14(17)16(20)21)5-12-3-4-22-8-12/h3-4,8,10,13-14H,5-7,9H2,1-2H3,(H,20,21)/t10?,13-,14-/m0/s1