Rupintrivir

CAS Registry Number®

223537-30-2

CAS Name

Rupintrivir

Molecular Formula

C31H39FN4O7

Molecular Mass

598.66

Cite this Page

Rupintrivir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=223537-30-2 (retrieved 2024-11-21) (CAS RN: 223537-30-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=CAYJBRBGZBCZKO-BHGBQCOSSA-N

SMILES

[C@@H](CC1=CC=C(F)C=C1)(CC([C@@H](NC(=O)C=2C=C(C)ON2)C(C)C)=O)C(N[C@@H](C[C@H]3C(=O)NCC3)/C=C/C(OCC)=O)=O

Canonical SMILES

O=C(OCC)C=CC(NC(=O)C(CC(=O)C(NC(=O)C1=NOC(=C1)C)C(C)C)CC2=CC=C(F)C=C2)CC3C(=O)NCC3

Other Names for this Substance

  • 2-Pentenoic acid, 4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-1,4-dioxoheptyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-, ethyl ester, (2E,4S)-
  • AG 7088
  • Rupintrivir
  • Rupinavir

CAS INSIGHTSTM
Targeted protein degrader structure, illustration