CAS 122555-91-3 Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate

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Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate

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Catalog Number

ACM122555913

Product Name

Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate

Structure

CAS

122555-91-3

Category

Macrocycles

Synonyms

1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraaza-cyclododecane; BBL102578; ANW-17994; tert-Butyl 2-[4,7-bis(2-tert-butoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate; Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate; DO3AtBu; DTXSID40459679; AS-20112; KS-00000Z0A; 1,4,7-tris(t-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane;

IUPAC Name

tert-butyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;

Molecular Weight

514.708g/mol

Molecular Formula

C26H50N4O6;

Canonical SMILES

CC(C)(C)OC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C;

InChI

InChI=1S/C26H50N4O6/c1-24(2,3)34-21(31)18-28-12-10-27-11-13-29(19-22(32)35-25(4,5)6)15-17-30(16-14-28)20-23(33)36-26(7,8)9/h27H,10-20H2,1-9H3;

InChI Key

NMHVTLJFPDOJOD-UHFFFAOYSA-N;