Preferred Name |
ombitasvir |
|
Synonyms |
dimethyl ([(2S,5S)-1-(4-tert-butylphenyl)pyrrolidine-2,5-diyl]bis{(4,1-phenylene)carbamoyl(2S)pyrrolidine-2,1-diyl[(2S)-3-methyl-1-oxobutane-1,2-diyl]})biscarbamate ABT 267 ombitasvir ABT-267 |
|
Definitions |
A dipeptide derivative which is used which is in combination with dasabuvir sodium hydrate, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_85183 |
|
charge |
0 |
|
database_cross_reference |
Drug_Central:4912 PMID:25365973 Wikipedia:Ombitasvir PMID:25680759 PMID:25706092 Reaxys:24582175 PMID:25644279 CAS:1258226-87-7 PMID:25451055 KEGG:D10576 PMID:25246359 PMID:25646891 |
|
definition |
A dipeptide derivative which is used which is in combination with dasabuvir sodium hydrate, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. |
|
formula |
C50H67N7O8 |
|
has functional parent | ||
has role | ||
has_exact_synonym |
dimethyl ([(2S,5S)-1-(4-tert-butylphenyl)pyrrolidine-2,5-diyl]bis{(4,1-phenylene)carbamoyl(2S)pyrrolidine-2,1-diyl[(2S)-3-methyl-1-oxobutane-1,2-diyl]})biscarbamate |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
ABT 267 ombitasvir ABT-267 |
|
id |
CHEBI:85183 |
|
in_subset | ||
inchi |
InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1 |
|
inchikey |
PIDFDZJZLOTZTM-KHVQSSSXSA-N |
|
label |
ombitasvir |
|
mass |
894.10910 |
|
monoisotopicmass |
893.50511 |
|
notation |
CHEBI:85183 |
|
prefLabel |
ombitasvir |
|
smiles |
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1 |
|
treeView |
http://purl.obolibrary.org/obo/CHEBI_62733 http://purl.obolibrary.org/obo/CHEBI_46761 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_62733 http://purl.obolibrary.org/obo/CHEBI_46761 |