Lopinavir-ritonavir mixt.

CAS Registry Number®

369372-47-4

CAS Name

Lopinavir-ritonavir mixt.

Molecular Formula

C37H48N6O5S2.C37H48N4O5

Cite this Page

Lopinavir-ritonavir mixt..   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=369372-47-4 (retrieved 2024-11-22) (CAS RN: 369372-47-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H48N6O5S2.C37H48N4O5/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30;1-25(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/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46);5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t28-,31-,32-,33-;30-,31-,32-,34-/m00/s1

InChIKey

InChIKey=OFFWOVJBSQMVPI-RMLGOCCBSA-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.[C@H](CC1=CC=CC=C1)(C[C@@H]([C@H](CC2=CC=CC=C2)NC(OCC3=CN=CS3)=O)O)NC([C@@H](NC(N(CC=4N=C(C(C)C)SC4)C)=O)[C@@H](C)C)=O

Canonical SMILES

O=C(OCC=1SC=NC1)NC(CC=2C=CC=CC2)C(O)CC(NC(=O)C(NC(=O)N(C)CC=3N=C(SC3)C(C)C)C(C)C)CC=4C=CC=CC4.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

  • 2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4S,6S,9S)-, mixt. with (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
  • 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S,8S,10S,11S)-, mixt. with (αS)-N-[(1S,3S,4S)-4-[[(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetamide
  • 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)-, mixt. contg.
  • Kaletra
  • Lopinavir-ritonavir mixt.

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration