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Aliskiren-[d3]

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General Information
Catalog: BLP-003259
CAS: 1134152-28-5
Molecular Formula: C30H50D3N3O6
Molecular Weight: 554.78

Chemical Structure

Description	Labelled Aliskiren. Aliskiren hemifumarate appears to bind to both the hydrophobic S1/S3-binding pocket and to a large, distinct subpocket that extends from the S3-binding site towards the hydrophobic core of renin. Oral bioavailability of Aliskiren hemifumarate is 2.4% in rats, 16% in marmosets and about 2.5% in humans.
IUPAC Name	(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[3-(3-methoxypropoxy)-4-(trideuteriomethoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
Related CAS	173334-57-1 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])OC1=C(C=C(C=C1)C[C@@H](C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N)C(C)C)OCCCOC
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
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/i8D3
InChI Key	UXOWGYHJODZGMF-GXOXHDOWSA-N