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Rupintrivir-[d4]

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General Information
Catalog: BLP-007831
Molecular Formula: C31H35D4FN4O7
Molecular Weight: 602.69

Chemical Structure

Description	Rupintrivir-[d4] is the labelled analogue of Rupintrivir, which is a potent and selective irreversible human rhinovirus (HRV) 3C protease inhibitor.
Synonyms	Rupintrivir-d4; (2E,4S)-4-[[(2R,5S)-2-[(4-Fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl-d4)carbonyl]amino]-1,4-dioxoheptyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid; AG 7088-d4
IUPAC Name	ethyl (E,4S)-4-[[(2R,5S)-5-[[4-deuterio-5-(trideuteriomethyl)-1,2-oxazole-3-carbonyl]amino]-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Related CAS	223537-30-2 (unlabelled)
Canonical SMILES	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC2=CC=C(C=C2)F)CC(=O)C(C(C)C)NC(=O)C3=NOC(=C3)C
InChI	InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/b11-10+/t21-,22+,24+,28-/m0/s1/i4D3,14D
InChI Key	CAYJBRBGZBCZKO-FMUMRBLNSA-N
Melting Point	>155°C (dec.)
Purity	≥97%; ≥98% atom D
Solubility	Soluble in Chloroform, Methanol
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere