Research chemical
CAS Number: 113082-98-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
60594
Exact Mass
656.426134
InChIKey
KQXVERRYBYGQJZ-WRPDIKACSA-N
IUPAC Name
3-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-methylbutanamide
SMILES String
CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CC=C(C=C3)OC)NC(=O)CC(C)(C)N)O)O
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Enalkiren is identified by CAS 113082-98-7, with molecular formula C35H56N6O6, molecular weight 656.9, InChIKey KQXVERRYBYGQJZ-WRPDIKACSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Renin, Cathepsin D. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
47
H-bond acceptors
12
H-bond donors
8
Rotatable bonds
18
Ring count
3
Aromatic rings
2
Topological polar surface area
191.69 Ų
Computed LogP
2.52
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Enalkiren (CAS 113082-98-7) is maintained as a cataloged research chemical with formula C35H56N6O6, molecular weight 656. 90 g/mol, PubChem CID 60594.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Renin (Homo sapiens) — 5 assays; Cathepsin D (Bos taurus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Renin
Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 5 documents · best pChEMBL 9.12
Experimental evidence source: ChEMBL
Cathepsin D
Bos taurus · SINGLE PROTEIN · 2 qualifying assays · 2 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.