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Chemical structure of Rupintrivir

GC50441

Rupintrivir

Also known as ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

Potent and selective irreversible human rhinovirus 3C protease inhibitor

ChemicalCAS223537-30-2MW598.66FormulaC31H39FN4O7
CAS number
223537-30-2
Molecular weight
598.66
Formula
C31H39FN4O7
Solubility
DMSO ： 50 mg/mL (83·52 mM; Need ultrasonic)
InChIKey
CAYJBRBGZBCZKO-BHGBQCOSSA-N
Catalogue number
GC50441
Brand
GLPBIO
Computed properties PubChem CID 6440352 · XLogP 3.1 · TPSA 157 Ų · H-bond donors 3
XLogP
3.1
TPSA
157 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
16
Heavy atoms
43

SMILES CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC2=CC=C(C=C2)F)CC(=O)[C@H](C(C)C)NC(=O)C3=NOC(=C3)C

Computed descriptors from PubChem (CID 6440352), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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