Products 1818868-23-3

CAS 1818868-23-3 is the registry number for HIV-1 inhibitor-52. Offered by: TargetMol, MedChemExpress. Available pack sizes: 25mg, 50mg, 100mg, Get quote.

HIV-1 inhibitor-52
TargetMol, MedChemExpress
  • size: 25mg, 50mg, 100mg, Get quote
  • Variants: 4
from 25873.75
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Structural formula: {0} (CAS {1})

(1S)-4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1-hydroxy-4-methylsulfonylcyclohexyl)ethylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]-1-(fluoromethyl)cyclohex-3-ene-1-carboxylic acid (CAS 1818868-23-3) is a chemical compound with the molecular formula C46H72FNO5S and a molecular weight of 770.1 g/mol. IUPAC name: (1S)-4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1-hydroxy-4-methylsulfonylcyclohexyl)ethylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]-1-(fluoromethyl)cyclohex-3-ene-1-carboxylic acid. InChIKey: MOKRSVAREFEYFD-IRIQEEJMSA-N.

Identity
Molecular formulaC46H72FNO5S
Molecular weight770.1 g/mol
IUPAC name(1S)-4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1-hydroxy-4-methylsulfonylcyclohexyl)ethylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]-1-(fluoromethyl)cyclohex-3-ene-1-carboxylic acid
InChIKeyMOKRSVAREFEYFD-IRIQEEJMSA-N
SMILESCC(=C)[C@@H]1CC[C@@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC=C(C5(C)C)C6=CC[C@](CC6)(CF)C(=O)O)C)C)NCCC7(CCC(CC7)S(=O)(=O)C)O

Computed by PubChem (NCBI)

Synonyms: orb1744825