HIV-1 inhibitor-52

Catalog No. :
ACWYNH372
CAS No. :
1818868-23-3
Molecular Formula :
C46H72FNO5S
Molecular Weight :
770.15

IUPAC Name:(S)-1-(fluoromethyl)-4-((1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((2-((1s,4S)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)cyclohex-3-ene-1-carboxylic acid

HIV-1 inhibitor-52 structure diagram
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Product Information

Product NameHIV-1 inhibitor-52
IUPAC Name(S)-1-(fluoromethyl)-4-((1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((2-((1s,4S)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)cyclohex-3-ene-1-carboxylic acid
Molecular FormulaC46H72FNO5S
Molecular Weight770.15
SMILESC=C(C)[C@@H]1CC[C@@]2(NCC[C@]3(O)CC[C@@H](S(C)(=O)=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(C(=O)O)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
InChI KeyMOKRSVAREFEYFD-LWRNTVHASA-N
Synonym3-Cyclohexene-1-carboxylic acid, 1-(fluoromethyl)-4-[17-[[2-[cis-1-hydroxy-4-(methylsulfonyl)cyclohexyl]ethyl]amino]-28-norlupa-2,20(29)-dien-3-yl]-, (1S)-;HIV-1 inhibitor-52
CAS No.1818868-23-3

Synthetic Route by SureRoute

1. ACWYNH372 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACWYNH372 route product structure diagram
    ACWYNH3721818868-23-3
Inquiry

2. ACWYNH372 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACWYNH372 route product structure diagram
    ACWYNH3721818868-23-3
Inquiry

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