loading...| Preferred Name |
Saquinavir mesylate |
|
| Synonyms |
Saquinavir mesylate Saquinavir mesilate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_32121 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:C12560 CAS:149845-06-7 KEGG:D01160 |
|
| formula |
C38H50N6O5.CH4O3S |
|
| has_exact_synonym |
Saquinavir mesylate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Saquinavir mesilate |
|
| id |
CHEBI:32121 |
|
| in_subset | ||
| inchi |
InChI=1S/C38H50N6O5.CH4O3S/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29;1-5(2,3)4/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49);1H3,(H,2,3,4)/t26-,27+,30-,31-,32-,33+;/m0./s1 |
|
| inchikey |
IRHXGOXEBNJUSN-YOXDLBRISA-N |
|
| label |
Saquinavir mesylate |
|
| mass |
766.949 |
|
| monoisotopicmass |
766.37238 |
|
| notation |
CHEBI:32121 |
|
| prefLabel |
Saquinavir mesylate |
|
| smiles |
CS(O)(=O)=O.CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |
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| treeView | ||
| subClassOf |