ATAZANAVIR SULFATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 4MT4VIE29P
Parent Compound: ATAZANAVIR

Structure

InChI Key DQSGVVGOPRWTKI-QVFAWCHISA-N
Smiles COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H54N6O11S
Molecular Weight 802.95
AlogP 4.21
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 14.0
Polar Surface Area 171.22
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 51.0

Pharmacology

Mechanism of Action Action Reference
Human immunodeficiency virus type 1 protease inhibitor INHIBITOR DailyMed

Cross References

Resources Reference
ChEBI 31243
ChEMBL CHEMBL1200678
FDA SRS 4MT4VIE29P
KEGG D07471
PDB DR7
PubChem 158550
SureChEMBL SCHEMBL52068
ZINC ZINC03941496
CONTENTS