Products 438553-50-5

CAS 438553-50-5 appears in our catalog under these 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%, 97%, (S)-NODAGA-tris(t-Bu ester), (S)-4-(4,7-Bis(2-(tert-butoxy)-2-oxoethyl)-1,4,7-triazonan-1-yl)-5-(tert-butoxy)-5-oxopentanoic acid, 97%. Offered by: Chemat, MedChemExpress, Fluorochem. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 250mg, 5 mg, 1 mg, 50 mg.

1H-1,4,7-Triazonine-1,4,7-triacetic acid, α-(2-carboxyethyl)hexahydro-, α,α',α''-tris(1,1-dimethylethyl) ester, (αS)-, 97%, 97%
Chemat
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
from 621.20
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(S)-NODAGA-tris(t-Bu ester)
MedChemExpress
  • size: 5 mg, 1 mg, 50 mg, 100 mg
  • Variants: 6
from 431.15
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(S)-4-(4,7-Bis(2-(tert-butoxy)-2-oxoethyl)-1,4,7-triazonan-1-yl)-5-(tert-butoxy)-5-oxopentanoic acid, 97%
Fluorochem
  • size: 10mg, 25mg
  • Variants: 2
from 1164.19
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Structural formula: {0} (CAS {1})

(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 formulaC27H49N3O8
Molecular weight543.7 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
InChIKeyADHGPCATMVZKLP-FQEVSTJZSA-N
SMILESCC(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