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Chemical structure of N¹-Glutathionyl-spermidine disulfide

GA23229

N¹-Glutathionyl-spermidine disulfide

Also known as (2S)-2-amino-5-[[(2R)-1-[[2-[3-(4-aminobutylamino)propylamino]-2-oxoethyl]amino]-3-[[(2R)-3-[[2-[3-(4-aminobutylamino)propylamino]-2-oxoethyl]amino]-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

The enzyme trypanothione reductase from the insect trypanosomatid Crithidia fasciculata not only uses trypanothione as a substrate, but also this related acyclic disulfide (Km = 149 µM)

ChemicalCAS108081-77-2MW867.1FormulaC34H66N12O10S2
CAS number
108081-77-2
Molecular weight
867.1
Formula
C34H66N12O10S2
Solubility
Soluble in DMSO
InChIKey
HCMZDPYSWPSKSP-CQJMVLFOSA-N
Catalogue number
GA23229
Brand
GLPBIO
Computed properties PubChem CID 99864303 · XLogP -10.2 · TPSA 428 Ų · H-bond donors 14
XLogP
-10.2
TPSA
428 Ų
H-bond donors
14
H-bond acceptors
18
Rotatable bonds
37
Heavy atoms
58

SMILES C(CCNCCCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N)CN

Computed descriptors from PubChem (CID 99864303), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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