3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(thian-4-yl)propanoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(thian-4-yl)propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-3-tetrahydrothiopyran-4-yl-propanoic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-thianyl)propanoic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(thian-4-yl)propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-3-tetrahydrothiopyran-4-yl-propionic acid Formula: C13H23NO4S MolecularWeight: 289.39102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)C1CCSCC1

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)O)C1CCSCC1

InChI

InChI=1S/C13H23NO4S/c1-13(2,3)18-12(17)14-10(8-11(15)16)9-4-6-19-7-5-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)