Research chemical
CAS Number: 2468149-70-2
![(3aR,4R,6aS)-rel-hexahydro-N-[2-[[4-[1-[1-methyl-2-oxo-2-[[3-(2-oxoacetyl)phenyl]amino]ethyl]-1H-1,2,3-triazol-4-yl]-1-oxobutyl]amino]ethyl]-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide molecular structure, CAS 2468149-70-2](/structure-images/2468149-70-2.png?v=struct-v3)
Product details
PubChem CID
137947054
Exact Mass
626.263502
InChIKey
ROSSMRMVAUYSKN-LTKSESKGSA-N
IUPAC Name
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[4-[1-[1-(3-oxaldehydoylanilino)-1-oxopropan-2-yl]triazol-4-yl]butanoylamino]ethyl]pentanamide
SMILES String
CC(C(=O)Nc1cccc(C(=O)C=O)c1)n1cc(CCCC(=O)NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)nn1
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(3aR,4R,6aS)-rel-hexahydro-N-[2-[[4-[1-[1-methyl-2-oxo-2-[[3-(2-oxoacetyl)phenyl]amino]ethyl]-1H-1,2,3-triazol-4-yl]-1-oxobutyl]amino]ethyl]-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide is identified by CAS 2468149-70-2, with molecular formula C29H38N8O6S, molecular weight 626.7, InChIKey ROSSMRMVAUYSKN-LTKSESKGSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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For laboratory research and professional procurement workflows.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
44
H-bond acceptors
14
H-bond donors
5
Rotatable bonds
17
Ring count
4
Aromatic rings
2
Topological polar surface area
193.28 Ų
Computed LogP
1.14
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
70 g/mol, PubChem CID 137947054.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.