3-methyl-2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(2-morpholino-2-oxo-ethyl)sulfanylacetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 2-[[2-[(2-keto-2-morpholino-ethyl)thio]acetyl]amino]-3-methyl-butyric acid Formula: C13H22N2O5S MolecularWeight: 318.38918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CSCC(=O)N1CCOCC1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CSCC(=O)N1CCOCC1

InChI

InChI=1S/C13H22N2O5S/c1-9(2)12(13(18)19)14-10(16)7-21-8-11(17)15-3-5-20-6-4-15/h9,12H,3-8H2,1-2H3,(H,14,16)(H,18,19)