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Chemistry

Mol. Mass

704.87

ALogP

4.21

Rule of 5

No

Rule of 3

No
Details
  • 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
  • InChIKey: AXRYRYVKAWYZBR-GASGPIRDSA-N
    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+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1163   ChEMBL
atazanavir *

CHEMBL1200678   ChEMBL
atazanavir sulfate

QZU4H47A3S   NCATS
atazanavir *

Atazanavir   Wikipedia

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