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

Systemtic Name: 3-[1,1-bis(oxidanylidene)thian-4-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic acid CAS Name: 3-(1,1-dioxo-4-thianyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,1-dioxothian-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-3-(1,1-diketothian-4-yl)propionic acid Formula: C13H23NO6S MolecularWeight: 321.38982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)C1CCS(=O)(=O)CC1

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)O)C1CCS(=O)(=O)CC1

InChI

InChI=1S/C13H23NO6S/c1-13(2,3)20-12(17)14-10(8-11(15)16)9-4-6-21(18,19)7-5-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)