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Chemical structure of Rimtoregtide

GC64644

Rimtoregtide

Also known as (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid

Rimtoregtide is a polypeptide compound which significantly reduces the increase in the levels of amylase and lipase in the blood caused by acute pancreatitis

ChemicalCAS2251722-35-5MW1500.61FormulaC65H101N19O22
CAS number
2251722-35-5
Molecular weight
1500.61
Formula
C65H101N19O22
Solubility
Water ： 100 mg/mL (66·64 mM; Need ultrasonic)
InChIKey
PAVULCXCHYUXAY-NTUCKVCISA-N
Catalogue number
GC64644
Brand
GLPBIO
Computed properties PubChem CID 162625091 · XLogP -4.7 · TPSA 612 Ų · H-bond donors 20
XLogP
-4.7
TPSA
612 Ų
H-bond donors
20
H-bond acceptors
24
Rotatable bonds
43
Heavy atoms
106

SMILES CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CN=CN3)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CO)C(=O)O)NC(=O)C

Computed descriptors from PubChem (CID 162625091), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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