Preferred Name |
aliskiren |
|
Synonyms |
SPP 100 aliskiren (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(propan-2-yl)nonanamide |
|
Definitions |
A monomethoxybenzene compound having a 3-methoxypropoxy group at the 2-position and a multi-substituted branched alkyl substituent at the 4-position. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_601027 |
|
alternative term |
SPP 100 aliskiren (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(propan-2-yl)nonanamide |
|
bearer_of | ||
charge |
0 |
|
database_cross_reference |
PMID:19358611 DrugBank:DB01258 Beilstein:8740878 LINCS:LSM-2653 KEGG:D03208 PDBeChem:C41 PMID:19457666 Wikipedia:Aliskiren Drug_Central:119 CAS:173334-57-1 |
|
formula |
C30H53N3O6 |
|
has role | ||
has_alternative_id |
CHEBI:41356 CHEBI:580746 |
|
has_exact_synonym |
(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(propan-2-yl)nonanamide |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
SPP 100 aliskiren |
|
has_RxCUI |
325646 |
|
id |
CHEBI:601027 |
|
in_subset | ||
inchi |
InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 |
|
inchikey |
UXOWGYHJODZGMF-QORCZRPOSA-N |
|
label |
aliskiren |
|
mass |
551.75830 |
|
monoisotopicmass |
551.39344 |
|
notation |
CHEBI:601027 |
|
prefixIRI |
CHEBI:601027 |
|
prefLabel |
aliskiren |
|
smiles |
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |
|
textual definition |
A monomethoxybenzene compound having a 3-methoxypropoxy group at the 2-position and a multi-substituted branched alkyl substituent at the 4-position. |
|
subClassOf |