Products 404595-97-7

CAS 404595-97-7 is the registry number for Tetra-tert-butyl 2,2',2'',2'''-(2-(4-aminobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetate, 95%. Offered by: Chemat Brand. Available pack sizes: on request.

Tetra-tert-butyl 2,2',2'',2'''-(2-(4-aminobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetate, 95%
Chemat Brand
  • size: on request
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

Tert-butyl 2-[6-[(4-aminophenyl)methyl]-4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate (CAS 404595-97-7) is a chemical compound with the molecular formula C39H67N5O8 and a molecular weight of 734.0 g/mol. IUPAC name: tert-butyl 2-[6-[(4-aminophenyl)methyl]-4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate. InChIKey: VKRXEQDSGLUSBS-UHFFFAOYSA-N.

Identity
Molecular formulaC39H67N5O8
Molecular weight734.0 g/mol
IUPAC nametert-butyl 2-[6-[(4-aminophenyl)methyl]-4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
InChIKeyVKRXEQDSGLUSBS-UHFFFAOYSA-N
SMILESCC(C)(C)OC(=O)CN1CCN(CCN(C(CN(CC1)CC(=O)OC(C)(C)C)CC2=CC=C(C=C2)N)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

Computed by PubChem (NCBI)

Synonyms: p-NH?-Bn-DOTA-tetra(t-Bu ester)
Related forms of this compound
tert-butyl 2-[(6S)-6-[(4-aminophenyl)methyl]-4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate C39H67N5O8