2-(2-azanylpropanoyl)-1-[2-(2-butoxyethylsulfanyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-[2-(2-butoxyethylsulfanyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[1-(2-butoxyethylsulfanyl)-2-hydroxy-1-methyl-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[2-(2-butoxyethylthio)-1-hydroxy-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-[2-(2-butoxyethylsulfanyl)-1-hydroxy-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[1-(2-butoxyethylthio)-2-hydroxy-2-keto-1-methyl-ethyl]proline Formula: C17H30N2O6S MolecularWeight: 390.4949

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCSC(C)(C(=O)O)N1CCCC1(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCCCOCCSC(C)(C(=O)O)N1CCCC1(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C17H30N2O6S/c1-4-5-9-25-10-11-26-16(3,14(21)22)19-8-6-7-17(19,15(23)24)13(20)12(2)18/h12H,4-11,18H2,1-3H3,(H,21,22)(H,23,24)