Lopinavir

CAS Registry Number®

192725-17-0

CAS Name

Lopinavir

Molecular Formula

C37H48N4O5

Molecular Mass

628.80

Cite this Page

Lopinavir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=192725-17-0 (retrieved 2024-11-21) (CAS RN: 192725-17-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1

InChIKey

InChIKey=KJHKTHWMRKYKJE-SUGCFTRWSA-N

SMILES

[C@@H](C(N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(COC3=C(C)C=CC=C3C)=O)O)=O)([C@@H](C)C)N4C(=O)NCCC4

Canonical SMILES

O=C1NCCCN1C(C(=O)NC(CC=2C=CC=CC2)CC(O)C(NC(=O)COC=3C(=CC=CC3C)C)CC=4C=CC=CC4)C(C)C

Other Names for this Substance

  • 1(2H)-Pyrimidineacetamide, N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-, (αS)-
  • 1(2H)-Pyrimidineacetamide, N-[4-[[(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-, [1S-[1R*(R*),3R*,4R*]]-
  • 1(2H)-Pyrimidineacetamide, N-[(1S,3S,4S)-4-[[(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-, (αS)-
  • (αS)-N-[(1S,3S,4S)-4-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetamide
  • A 157378.0

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration