2-[[2-methyl-2-[[2-(oxan-4-yl)-2-sulfanyl-ethanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[2-methyl-2-[[2-(oxan-4-yl)-2-sulfanyl-ethanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[2-methyl-2-[(2-sulfanyl-2-tetrahydropyran-4-yl-acetyl)amino]propanoyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[2-[[2-mercapto-2-(4-oxanyl)-1-oxoethyl]amino]-2-methyl-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[2-methyl-2-[[2-(oxan-4-yl)-2-sulfanylacetyl]amino]propanoyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-[(2-mercapto-2-tetrahydropyran-4-yl-acetyl)amino]-2-methyl-propanoyl]amino]propionic acid Formula: C14H24N2O6S MolecularWeight: 348.41516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CO)C(=O)O)NC(=O)C(C1CCOCC1)S

Isomeric SMILES

CC(C)(C(=O)NC(CO)C(=O)O)NC(=O)C(C1CCOCC1)S

InChI

InChI=1S/C14H24N2O6S/c1-14(2,13(21)15-9(7-17)12(19)20)16-11(18)10(23)8-3-5-22-6-4-8/h8-10,17,23H,3-7H2,1-2H3,(H,15,21)(H,16,18)(H,19,20)