1H-1,4,7-Triazonine-1,4,7-triacetic acid, α-(2-carboxyethyl)hexahydro-, α,α',α''-tris(1,1-dimethylethyl) ester, (αS)-, 97% (TFA salt)

cas: 438553-50-5 — see every product listed under this CAS number, including other names

1H-1,4,7-Triazonine-1,4,7-triacetic acid, α-(2-carboxyethyl)hexahydro-, α,α',α''-tris(1,1-dimethylethyl) ester, (αS)-, 97% (TFA salt) (CAS 438553-50-5) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 250mg. Offered by: Chemat.

• 2D
• 3D

(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 (CAS 438553-50-5) is a chemical compound with the molecular formula C27H49N3O8 and a molecular weight of 543.7 g/mol. IUPAC name: (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. InChIKey: ADHGPCATMVZKLP-FQEVSTJZSA-N.

Identity

Molecular formula	C27H49N3O8
Molecular weight	543.7 g/mol
IUPAC name	(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
InChIKey	ADHGPCATMVZKLP-FQEVSTJZSA-N
SMILES	CC(C)(C)OC(=O)CN1CCN(CCN(CC1)[C@@H](CCC(=O)O)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

Computed by PubChem (NCBI)

Synonyms: (S)-NODAGA-tris(t-Bu ester), S-NODAGA(tBu)3, (S)-NOTA-GA-(COOt-Bu)3, 1,4,7-triazonine-1,4,7-triacetate

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

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