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aliskiren

Properties

Image

Occurences in reactions

MNX_ID

MNXM118913

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₀H₅₃N₃O₆

charge

mass

551.39344

reference

chebi:601027

InChIKey

UXOWGYHJODZGMF-QORCZRPOSA-N

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

SMILES

COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-2022362 reactomeM:R-ALL-2022362 CHEBI:601027 chebi:601027	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 SPP 100
kegg.drug:D03208 keggD:D03208	Aliskiren (USAN/INN) Rasilez (TN)
hmdb:HMDB0015387	Aliskiren (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 2(S),4(S),5(S),7(S)-N-(2-Carbamoyl-2-methylpropyl)-5-amino-4-hydroxy-2,7-diisopropyl-8-(4-methoxy-3-(3-methoxypropoxy)phenyl)octanamid hemifumarate Rasilez SPP 100 Tekturna aliskiren
envipath:...75b8a596ae6d envipathM:...75b8a596ae6d envipath:...c5d7c1993fd5 envipathM:...c5d7c1993fd5 envipath:...b5e10a7a5069 envipathM:...b5e10a7a5069 envipath:...237480b42ad9 envipathM:...237480b42ad9 envipath:...b1f60fd9e2c6 envipathM:...b1f60fd9e2c6 envipath:...3a0fc6208807 envipathM:...3a0fc6208807 envipath:...d9aa2a6f7f47 envipathM:...d9aa2a6f7f47	compound 0058150
hmdb:HMDB15387 chebi:41356 chebi:580746 keggD:M_D03208	secondary/obsolete/fantasy identifier