2-[[1-(2-methyl-3-propanoylsulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[1-(2-methyl-3-propanoylsulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[[1-(2-methyl-3-propanoylsulfanyl-propanoyl)pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[[1-[2-methyl-1-oxo-3-(1-oxopropylthio)propyl]-2-pyrrolidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[1-(2-methyl-3-propanoylsulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[1-[2-methyl-3-(propionylthio)propanoyl]prolyl]amino]butyric acid Formula: C16H26N2O6S MolecularWeight: 374.45244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CCC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)O

InChI

InChI=1S/C16H26N2O6S/c1-4-12(20)25-8-9(2)15(22)18-7-5-6-11(18)14(21)17-13(10(3)19)16(23)24/h9-11,13,19H,4-8H2,1-3H3,(H,17,21)(H,23,24)