Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
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What are the key identifiers for (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CAS 3049076-98-1)?
(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is identified by CAS 3049076-98-1, with molecular formula C66H85Cl2N9O10S, molecular weight 1267.4, InChIKey FRCCOJQMSWWHQP-QOWPVYDQSA-N.
Can I request a COA for CAS 3049076-98-1?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
Product details
Identity & specification
Molecular formula
C66H85Cl2N9O10S
Molecular weight
1267.4 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request
For laboratory research and professional procurement workflows.
Show calculated structure fields
Heavy atom count
88
H-bond acceptors
19
H-bond donors
4
Rotatable bonds
24
Ring count
8
Aromatic rings
5
Topological polar surface area
216.8 Ų
Computed LogP
8.73
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.
Catalog Facts
Structural features
40 g/mol, PubChem CID 171714031.
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.
![(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide molecular structure, CAS 3049076-98-1](/structure-images/3049076-98-1.png?v=struct-v3)