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

http://purl.obolibrary.org/obo/CHEBI_73701

has role

http://purl.obolibrary.org/obo/CHEBI_85185

http://purl.obolibrary.org/obo/CHEBI_36044

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

http://purl.obolibrary.org/obo/chebi#3_STAR

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

http://purl.obolibrary.org/obo/CHEBI_23003

http://purl.obolibrary.org/obo/CHEBI_38260

subClassOf

http://purl.obolibrary.org/obo/CHEBI_62733

http://purl.obolibrary.org/obo/CHEBI_46761

http://purl.obolibrary.org/obo/CHEBI_23003

http://purl.obolibrary.org/obo/CHEBI_38260

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