(3S,8R,9R,12S)-Atazanavir

• Synonyms:

  Methyl [(5S,10R,11R,14S)-11-Benzyl-5-tert-butyl-10-hydroxy-15,15-dimethyl-3,6,13-trioxo-8-[[4-(pyridin-2-yl)phenyl]methyl]-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate; (3S,8R,9R,12S)-Atazanavir; 8,9-diepi-Atazanavir

• Hazard Statement:

  No Data Available

• Smiles:

  COC(=O)N[C@H](C(=O)N[C@H](Cc1ccccc1)[C@H](O)CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C

• Molecular Formula:

  C38 H52 N6 O7

• Molecular Weight:

  704.856

• InChI:

  InChI=1S/C38H52N6O7/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/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31-,32-/m1/s1

• Additionnal Information:

  IUPAC name: methyl N-[(2S)-1-[2-[(2R,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

• Shipping Conditions:

  Room Temperature