8-epi Atazanavir

cas: 1292296-09-3 — see every product listed under this CAS number, including other names

8-epi Atazanavir (CAS 1292296-09-3) is a chemical reagent available from Chemat. Available pack sizes: 50mg. Offered by: TRC.

brandTRC
catalog numberTRC-A790055-50MG
cas1292296-09-3
size50mg
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Structural formula: {0} (CAS {1})

Methyl N-[(2S)-1-[2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CAS 1292296-09-3) is a chemical compound with the molecular formula C38H52N6O7 and a molecular weight of 704.9 g/mol. IUPAC name: methyl N-[(2S)-1-[2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate. InChIKey: AXRYRYVKAWYZBR-SYEZAVJTSA-N.

Identity
Molecular formulaC38H52N6O7
Molecular weight704.9 g/mol
IUPAC namemethyl N-[(2S)-1-[2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
InChIKeyAXRYRYVKAWYZBR-SYEZAVJTSA-N
SMILESCC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC

Computed by PubChem (NCBI)

Synonyms: 8-epi Atazanavir, 8-Epiatazanavir, Atazanavir S,R,S,S-diastereomer, (3S,8R,9S,12S)-Atazanavir, Atazanavir (3S,8R,9S,12S), Atazanavir EP Impurity E (Atazanavir S,R,S,S-Diastereomer), Atazanavir sulfate impurity E [EP], Atazanavir S,R,S,S-diastereomer [USP IMPURITY], ATAZANAVIR SULFATE IMPURITY E [EP IMPURITY]
Related forms of this compound
methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate C38H52N6O7
methyl N-[(2R)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2R)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate C38H52N6O7
trideuteriomethyl N-[(2S)-1-[2-[(2S,3S)-3-[[(2S)-3,3-dimethyl-2-(trideuteriomethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate C38H52N6O7
methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2R)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate C38H52N6O7
methyl N-[(2R)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate C38H52N6O7
methyl N-[(2S)-1-[2-[(2S,3R)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate C38H52N6O7
methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-(2,3,4,5,6-pentadeuteriophenyl)butyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate C38H52N6O7
methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-4-phenyl-3-[[(2S)-4,4,4-trideuterio-2-(methoxycarbonylamino)-3,3-bis(trideuteriomethyl)butanoyl]amino]butyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate C38H52N6O7

Also listed as

Atazanavir Impurity 1 Chemat Brand CAS 1292296-09-3
Atazanavir Impurity 7（(3S,8R,9S,12S)-Atazanavir） Hubei YoungXin CAS 1292296-09-3
8-epiAtazanavir Biosynth CAS 1292296-09-3
ATAZANAVIR S,R,S,S-DIASTEREOMER Sigma-Aldrich CAS 1292296-09-3