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Atazanavir Sulfate

Atazanavir Sulfate

API0231826

Atazanavir Sulfate

Atazanavir Sulfate is an anti-HIV drug.

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  • CAS No.

    229975-97-7

  • Synonyms

    Atazanavir sulfate; 229975-97-7; Atazor

  • CHEMBL ID

    CHEMBL1200678

  • Compound CID

    158550

  • Molecular Weight (g/mol)

    802.9

  • Molecular Formula

    C38H54N6O11S

  • InChI

    InChI=1S/C38H52N6O7.H2O4S/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28;1-5(2,3)4/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47);(H2,1,2,3,4)/t29-,30-,31+,32+;/m0./s1

  • InChIKey

    DQSGVVGOPRWTKI-QVFAWCHISA-N

  • SMILES

    CC(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.OS(=O)(=O)O

  • IUPAC Name

    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;sulfuric acid

  • Exact Mass (Da)

    802.35712773

  • Monoisotopic Mass (Da)

    802.35712773

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