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Chemical structure of Phytochelatin 3

GC76542

Phytochelatin 3

Also known as (2S)-2-amino-5-[[(2R)-1-[[(1S)-1-carboxy-4-[[(2R)-1-[[(1S)-1-carboxy-4-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid

Phytochelatin 3 (PC 3) is the small metal chelating peptide that can be used for chelating heavy metals

ChemicalCAS86220-45-3MW771.84FormulaC26H41N7O14S3
CAS number
86220-45-3
Molecular weight
771.84
Formula
C26H41N7O14S3
Solubility
DMSO： ≥ 100 mg/mL (129·56 mM)
InChIKey
PCOMFCPXXQONPD-QNILMXGZSA-N
Catalogue number
GC76542
Brand
GLPBIO
Computed properties PubChem CID 174541 · XLogP -6.7 · TPSA 353 Ų · H-bond donors 14
XLogP
-6.7
TPSA
353 Ų
H-bond donors
14
H-bond acceptors
18
Rotatable bonds
25
Heavy atoms
50

SMILES C(CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O)C(=O)O)[C@@H](C(=O)O)N

Computed descriptors from PubChem (CID 174541), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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