(2S)-1-[2-(ethanoylsulfanylmethyl)butanoyl]-4-(furan-2-yl)-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-(ethanoylsulfanylmethyl)butanoyl]-4-(furan-2-yl)-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-(acetylsulfanylmethyl)butanoyl]-4-(2-furyl)-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[(acetylthio)methyl]-1-oxobutyl]-4-(2-furanyl)-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-(acetylsulfanylmethyl)butanoyl]-4-(furan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[(acetylthio)methyl]butanoyl]-4-(2-furyl)-4-hydroxy-proline Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)(C2=CC=CO2)O

Isomeric SMILES

CCC(CSC(=O)C)C(=O)N1CC(C[C@H]1C(=O)O)(C2=CC=CO2)O

InChI

InChI=1S/C16H21NO6S/c1-3-11(8-24-10(2)18)14(19)17-9-16(22,7-12(17)15(20)21)13-5-4-6-23-13/h4-6,11-12,22H,3,7-9H2,1-2H3,(H,20,21)/t11?,12-,16?/m0/s1