Preferred Name

indinavir

Synonyms

2-benzyl-5-[(2S)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]-2,3,5-trideoxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-D-erythro-pentonamide

(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide

Indinavir

(1(1S,2R),5(S))-2,3,5-Trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-(2-(((1,1-dimethylethyl)amino)carbonyl)-4-(3-pyridinylmethyl)-1-piperazinyl)-2-(phenylmethyl)-D-erythro-Pentonamide

ID

http://purl.obolibrary.org/obo/CHEBI_44032

charge

0

database_cross_reference

KEGG:C07051

LINCS:LSM-5471

Wikipedia:Indinavir

CAS:150378-17-9

DrugBank:DB00224

Drug_Central:1437

formula

C36H47N5O4

has exact synonym

2-benzyl-5-[(2S)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]-2,3,5-trideoxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-D-erythro-pentonamide

(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide

Indinavir

has role

http://purl.obolibrary.org/obo/CHEBI_35660

has_alternative_id

CHEBI:5898

CHEBI:44029

has_obo_namespace

chebi_ontology

has_related_synonym

(1(1S,2R),5(S))-2,3,5-Trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-(2-(((1,1-dimethylethyl)amino)carbonyl)-4-(3-pyridinylmethyl)-1-piperazinyl)-2-(phenylmethyl)-D-erythro-Pentonamide

id

CHEBI:44032

in_subset

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

inchi

InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1

inchikey

CBVCZFGXHXORBI-PXQQMZJSSA-N

label

indinavir

mass

613.78968

monoisotopicmass

613.36281

notation

CHEBI:44032

prefLabel

indinavir

smiles

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1cccnc1

subClassOf

http://purl.obolibrary.org/obo/CHEBI_35779

http://purl.obolibrary.org/obo/CHEBI_46853

http://purl.obolibrary.org/obo/CHEBI_46851

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