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

Systemtic Name: (2S,4S)-4-benzamido-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-benzamido-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-benzamido-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-benzamidopyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-benzamido-proline Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-11(10-26-12(2)21)17(23)20-9-14(8-15(20)18(24)25)19-16(22)13-6-4-3-5-7-13/h3-7,11,14-15H,8-10H2,1-2H3,(H,19,22)(H,24,25)/t11?,14-,15-/m0/s1