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Chemical structure of Pramlintide acetate hydrate

GC44674

Pramlintide acetate hydrate

Also listed as Pramlintide (acetate hydrate)

Pramlintide is a non-amyloidogenic analog of the antidiabetic peptide hormone amylin that contains proline residues substituted at positions 25, 28, and 29

ChemicalCAS196078-30-5MW3949.4FormulaC171H267N51O53S2•XC2H4O2 [XH2O]
CAS number
196078-30-5
Molecular weight
3949.4
Formula
C171H267N51O53S2•XC2H4O2 [XH2O]
Solubility
DMSO： 10 mg/ml,PBS (pH 7·2)： 5 mg/ml
InChIKey
NRKVKVQDUCJPIZ-MKAGXXMWSA-N
Catalogue number
GC44674
Brand
GLPBIO
Computed properties PubChem CID 16132446 · XLogP -16.7 · TPSA 1690 Ų · H-bond donors 58
XLogP
-16.7
TPSA
1690 Ų
H-bond donors
58
H-bond acceptors
59
Rotatable bonds
122
Heavy atoms
277

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N)NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)N

Computed descriptors from PubChem (CID 16132446), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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