3-[1,1-bis(oxidanyl)thian-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[1,1-bis(oxidanyl)thian-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(1,1-dihydroxythian-4-yl)propanoic acid CAS Name: 3-(1,1-dihydroxy-4-thianyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,1-dihydroxythian-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1,1-dihydroxythian-4-yl)propionic acid Formula: C13H25NO6S MolecularWeight: 323.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCS(CC1)(O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1CCS(CC1)(O)O)C(=O)O

InChI

InChI=1S/C13H25NO6S/c1-13(2,3)20-12(17)14-10(11(15)16)8-9-4-6-21(18,19)7-5-9/h9-10,18-19H,4-8H2,1-3H3,(H,14,17)(H,15,16)