FOSAMPRENAVIR

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Synonyms
Status
Molecule Category Free-form
ATC J05AE07
UNII WOU1621EEG
EPA CompTox DTXSID2048296

Structure

InChI Key MLBVMOWEQCZNCC-OEMFJLHTSA-N
Smiles CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1
InChI
InChI=1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H36N3O9PS
Molecular Weight 585.62
AlogP 2.52
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 13.0
Polar Surface Area 177.72
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 39.0

Related Entries

Cross References

Resources Reference
ChEBI 82941
ChEMBL CHEMBL1664
DrugBank DB01319
DrugCentral 1240
FDA SRS WOU1621EEG
Human Metabolome Database HMDB0015416
PharmGKB PA10084
PubChem 131536
SureChEMBL SCHEMBL34080
ZINC ZINC000003941829
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