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

Systemtic Name: (2S,4S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-(phenylcarbamoyloxy)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(phenylcarbamoyloxy)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-[anilino(oxo)methoxy]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-(phenylcarbamoyloxy)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-(phenylcarbamoyloxy)proline Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)OC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C[C@H](C[C@H]1C(=O)O)OC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O6S/c1-11(10-27-12(2)21)16(22)20-9-14(8-15(20)17(23)24)26-18(25)19-13-6-4-3-5-7-13/h3-7,11,14-15H,8-10H2,1-2H3,(H,19,25)(H,23,24)/t11?,14-,15-/m0/s1