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

Systemtic Name: (2S,4R)-4-(butylcarbamoyloxy)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(butylcarbamoyloxy)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-[butylamino(oxo)methoxy]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-(butylcarbamoyloxy)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-(butylcarbamoyloxy)proline Formula: C16H26N2O6S MolecularWeight: 374.45244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC1CC(N(C1)C(=O)C(C)CSC(=O)C)C(=O)O

Isomeric SMILES

CCCCNC(=O)O[C@@H]1C[C@H](N(C1)C(=O)C(C)CSC(=O)C)C(=O)O

InChI

InChI=1S/C16H26N2O6S/c1-4-5-6-17-16(23)24-12-7-13(15(21)22)18(8-12)14(20)10(2)9-25-11(3)19/h10,12-13H,4-9H2,1-3H3,(H,17,23)(H,21,22)/t10?,12-,13+/m1/s1