Aliskiren

enlarge

Systematic / IUPAC Name: (2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide

ID: Reference3076

Other Names: Rasilez ;
Tekturna;
(2S,4S,5S,7S)-5-Amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide;
(2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-4-hydroxy-2-isopropyl-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-nonanamide ;
(2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-propan-2-ylnonanamide

Formula: C30H53N3O6

Class: Therapeutics/Prescription Drugs

Spectral Data

Aliskiren mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 80
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/5/2015 2:21:49 PM
View Mass Spec Data > >

Identificators

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
InChI Key UXOWGYHJODZGMF-QORCZRPOSA-N
Canonical SMILES CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N
CAS 173334571
Splash
Other Names Rasilez ;
Tekturna;
(2S,4S,5S,7S)-5-Amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide;
(2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-4-hydroxy-2-isopropyl-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-nonanamide ;
(2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-propan-2-ylnonanamide ;
(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

In Other Databases

ChEBI CHEBI:601027
ChemIDPlus 173334571
KEGG D03208
Wikipedia Aliskiren
PubChem 5493444
ChemSpider 4591452
HMDb HMDB15387