Research chemical
CAS Number: 3036029-72-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
170459244
Exact Mass
713.416377
InChIKey
OULWYQHHPPQJBM-AZWKTQJSSA-N
IUPAC Name
(2S)-N-[(2S)-1-[[(2S,3S)-1-[[(2R)-1-[[(2S)-1-[benzyl(methyl)amino]-4-methoxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylbutan-2-yl]amino]-3-hydroxy-3-methyl-1-oxobutan-2-yl]-2-fluoro-4,4-dimethylpentanamide
SMILES String
COCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](F)CC(C)(C)C)C(C)(C)O)[C@@H](C)c1ccccc1)C(=O)N(C)Cc1ccccc1
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
CID 170459244 is identified by CAS 3036029-72-5, with molecular formula C38H56FN5O7, molecular weight 713.9, InChIKey OULWYQHHPPQJBM-AZWKTQJSSA-N.
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
51
H-bond acceptors
12
H-bond donors
5
Rotatable bonds
18
Ring count
2
Aromatic rings
2
Topological polar surface area
166.17 Ų
Computed LogP
2.99
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
CID 170459244 (CAS 3036029-72-5) is maintained as a commercial cas reference with formula C38H56FN5O7, molecular weight 713. 90 g/mol, PubChem CID 170459244.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.