(3R)-3-oxidanyl-2-(propanoylsulfanylmethyl)-5-(trimethylazaniumyl)pentanoate

Systemtic Name: (3R)-3-oxidanyl-2-(propanoylsulfanylmethyl)-5-(trimethylazaniumyl)pentanoate Openeye Name: (3R)-3-hydroxy-2-(propanoylsulfanylmethyl)-5-(trimethylammonio)pentanoate CAS Name: (3R)-3-hydroxy-2-[(1-oxopropylthio)methyl]-5-(trimethylammonio)pentanoate IUPAC Name: (3R)-3-hydroxy-2-(propanoylsulfanylmethyl)-5-(trimethylazaniumyl)pentanoate Traditional Name: (3R)-3-hydroxy-2-[(propionylthio)methyl]-5-(trimethylammonio)valerate Formula: C12H23NO4S MolecularWeight: 277.38032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC(C(CC[N+](C)(C)C)O)C(=O)[O-]

Isomeric SMILES

CCC(=O)SCC([C@@H](CC[N+](C)(C)C)O)C(=O)[O-]

InChI

InChI=1S/C12H23NO4S/c1-5-11(15)18-8-9(12(16)17)10(14)6-7-13(2,3)4/h9-10,14H,5-8H2,1-4H3/t9?,10-/m1/s1