(2S)-1-[(2S)-3-(2-acetyloxyphenyl)carbonylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-3-(2-acetyloxyphenyl)carbonylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-3-(2-acetoxybenzoyl)sulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-3-[[(2-acetyloxyphenyl)-oxomethyl]thio]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-3-(2-acetyloxybenzoyl)sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-3-[(2-acetoxybenzoyl)thio]-2-methyl-propanoyl]proline Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1OC(=O)C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

C[C@H](CSC(=O)C1=CC=CC=C1OC(=O)C)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C18H21NO6S/c1-11(16(21)19-9-5-7-14(19)17(22)23)10-26-18(24)13-6-3-4-8-15(13)25-12(2)20/h3-4,6,8,11,14H,5,7,9-10H2,1-2H3,(H,22,23)/t11-,14+/m1/s1