Tri-tert-butyl 2,2',2''-(10-(2-(but-3-yn-1-ylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate, 98%

cas: 2125661-54-1 — see every product listed under this CAS number, including other names

Tri-tert-butyl 2,2',2''-(10-(2-(but-3-yn-1-ylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate, 98% (CAS 2125661-54-1) is a chemical reagent available from Chemat. Available pack sizes: 50mg, 100mg, 250mg, 1g. Offered by: BLDpharm.

• 2D
• 3D

Tert-butyl 2-[4-[2-(but-3-ynylamino)-2-oxoethyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate (CAS 2125661-54-1) is a chemical compound with the molecular formula C32H57N5O7 and a molecular weight of 623.8 g/mol. IUPAC name: tert-butyl 2-[4-[2-(but-3-ynylamino)-2-oxoethyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate. InChIKey: CHJMQUJLWJFDPZ-UHFFFAOYSA-N.

Identity

Molecular formula	C32H57N5O7
Molecular weight	623.8 g/mol
IUPAC name	tert-butyl 2-[4-[2-(but-3-ynylamino)-2-oxoethyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
InChIKey	CHJMQUJLWJFDPZ-UHFFFAOYSA-N
SMILES	CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)NCCC#C

Computed by PubChem (NCBI)

Synonyms: Butyne-DOTA-tris(t-butyl ester), DOTA-(COOt-Bu)3-butyne, Butyne-DOTA-tris(t-butylester), DOTA-tris(t-Bu)ester-butyne, orb2942315