Research chemical
CAS Number: 2104728-28-9
![cyclo[Ala-Thr-Arg-Leu-D-Phe-Pro-Val-Arg-Leu-D-Phe] molecular structure, CAS 2104728-28-9](/structure-images/2104728-28-9.png?v=struct-v3)
Product details
PubChem CID
169450165
Exact Mass
1200.713148
InChIKey
ZKSBDEIRCKGNQT-XXTAEOGISA-N
IUPAC Name
2-[3-[(3R,6S,9S,12S,15S,18R,21S,24S,27S,30S)-3,18-dibenzyl-9-[3-(diaminomethylideneamino)propyl]-12-[(1R)-1-hydroxyethyl]-15-methyl-6,21-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-27-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-24-yl]propyl]guanidine
SMILES String
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC1=O
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
cyclo[Ala-Thr-Arg-Leu-D-Phe-Pro-Val-Arg-Leu-D-Phe] is identified by CAS 2104728-28-9, with molecular formula C59H92N16O11, molecular weight 1201.5, InChIKey ZKSBDEIRCKGNQT-XXTAEOGISA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
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
86
H-bond acceptors
27
H-bond donors
18
Rotatable bonds
18
Ring count
4
Aromatic rings
2
Topological polar surface area
426.24 Ų
Computed LogP
-1.49
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
cyclo[Ala-Thr-Arg-Leu-D-Phe-Pro-Val-Arg-Leu-D-Phe] (CAS 2104728-28-9) is maintained as a commercial cas reference with formula C59H92N16O11, molecular weight 1201. 50 g/mol, PubChem CID 169450165.
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.