ChemArche
Sign inAccount

Molecule record

(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

C30H53N3O6

551.77 g/mol

Loading structure

Molecular properties

Formula
C30H53N3O6
Molar mass
551.77 g·mol−1
Exact mass
551.3934 Da
6
PubChem CID
5493444

Functional groups

Alcohol
Alkane / alkyl carbon
Amide
Aromatic ring
Ether
Primary amine
Secondary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 173334-57-1
  • 502FWN4Q32
  • Aliskiren
  • Aliskiren [INN]
  • Aliskiren(CGP 60536)
  • Aliskireno
  • C09XA02
  • C30H53N3O6
Show all 24 synonyms
  • CGP 60536
  • CGP-060536B
  • CGP060536B
  • CGP60536
  • CGP60536B
  • CHEBI:601027
  • CHEMBL1639
  • DTXCID401030595
  • DTXSID40891494
  • MFCD09839018
  • NCGC00186464-01
  • RefChem:56248
  • SPP 100
  • SPP100
  • aliskirene
  • aliskirenum

Structure identifiers

Canonical 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
Isomeric SMILES
CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](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
InChIKey
UXOWGYHJODZGMF-QORCZRPOSA-N
PubChem CID
5493444

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (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; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (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; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record