4-(4,7-Bis(2-(tert-butoxy)-2-oxoethyl)-1,4,7-triazonan-1-yl)-5-(tert-butoxy)-5-oxopentanoic acid, 98.0% (TFA salt)

cas: 1190101-34-8 — see every product listed under this CAS number, including other names

4-(4,7-Bis(2-(tert-butoxy)-2-oxoethyl)-1,4,7-triazonan-1-yl)-5-(tert-butoxy)-5-oxopentanoic acid, 98.0% (TFA salt) (CAS 1190101-34-8) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 50mg, 100mg, 250mg, 1g. Offered by: Chemat.

• 2D
• 3D

4-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CAS 1190101-34-8) is a chemical compound with the molecular formula C27H49N3O8 and a molecular weight of 543.7 g/mol. IUPAC name: 4-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid. InChIKey: ADHGPCATMVZKLP-UHFFFAOYSA-N.

Identity

Molecular formula	C27H49N3O8
Molecular weight	543.7 g/mol
IUPAC name	4-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
InChIKey	ADHGPCATMVZKLP-UHFFFAOYSA-N
SMILES	CC(C)(C)OC(=O)CN1CCN(CCN(CC1)C(CCC(=O)O)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

Computed by PubChem (NCBI)

Synonyms: NODAGA-tris(t-Bu ester), R,S-NODAGA(3tBu), orb2942424

Related forms of this compound

(4R)-4-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid C₂₇H₄₉N₃O₈

(4S)-4-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid C₂₇H₄₉N₃O₈