methyl (2S)-1-[(2R,4S)-4-methylsulfanylcarbothioyloxy-4-oxidanyl-2-(phenylmethyl)pentanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2R,4S)-4-methylsulfanylcarbothioyloxy-4-oxidanyl-2-(phenylmethyl)pentanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2R,4S)-2-benzyl-4-hydroxy-4-methylsulfanylcarbothioyloxy-pentanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R,4S)-4-hydroxy-4-[(methylthio)-sulfanylidenemethoxy]-1-oxo-2-(phenylmethyl)pentyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2R,4S)-2-benzyl-4-hydroxy-4-methylsulfanylcarbothioyloxypentanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R,4S)-2-benzyl-4-hydroxy-4-(methylthio)carbothioyloxy-pentanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)OC)(O)OC(=S)SC

Isomeric SMILES

C[C@](C[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)OC)(O)OC(=S)SC

InChI

InChI=1S/C20H27NO5S2/c1-20(24,26-19(27)28-3)13-15(12-14-8-5-4-6-9-14)17(22)21-11-7-10-16(21)18(23)25-2/h4-6,8-9,15-16,24H,7,10-13H2,1-3H3/t15-,16+,20+/m1/s1