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Chemical structure of Macropa-NH2 TFA

GC61019

Macropa-NH2 TFA

Also known as 4-amino-6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid

Macropa-NH2 TFA is the precursor of Macropa-NCS

ChemicalCAS2705054-08-4MW661.62FormulaC28H38F3N5O10
CAS number
2705054-08-4
Molecular weight
661.62
Formula
C28H38F3N5O10
Solubility
DMSO： 200 mg/mL (302·29 mM)
InChIKey
ZDYLMJRUTNAJBE-UHFFFAOYSA-N
Catalogue number
GC61019
Brand
GLPBIO
Computed properties PubChem CID 154925627 · TPSA 207 Ų · H-bond donors 4 · H-bond acceptors 18
TPSA
207 Ų
H-bond donors
4
H-bond acceptors
18
Rotatable bonds
6
Heavy atoms
46

SMILES C1COCCOCCN(CCOCCOCCN1CC2=NC(=CC=C2)C(=O)O)CC3=NC(=CC(=C3)N)C(=O)O.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 154925627), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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