Research chemical
CAS Number: 244082-19-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
137699658
Exact Mass
1279.46135
InChIKey
PXPYGRPAJWZFSK-RWTIKVRNSA-N
IUPAC Name
(4R,7S,10S,13S,19S,22S,25S,28S,31R)-31-amino-13-benzyl-10,25,28-tris[(1R)-1-hydroxyethyl]-22-(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-7-(2-methylpropyl)-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILES String
CC(C)C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC1=O.O=C(O)C(F)(F)F
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.
H-Cys-Thr-Thr-His-Trp-Gly-Phe-Thr-Leu-Cys-OH, (Disulfide bond) is identified by CAS 244082-19-7, with molecular formula C54H72F3N13O16S2, molecular weight 1280.4, InChIKey PXPYGRPAJWZFSK-RWTIKVRNSA-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.
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
88
H-bond acceptors
29
H-bond donors
18
Rotatable bonds
12
Ring count
5
Aromatic rings
4
Topological polar surface area
467.68 Ų
Computed LogP
-2.46
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
H-Cys-Thr-Thr-His-Trp-Gly-Phe-Thr-Leu-Cys-OH, (Disulfide bond) (CAS 244082-19-7) is maintained as a commercial cas reference with formula C54H72F3N13O16S2, molecular weight 1280. 40 g/mol, PubChem CID 137699658.
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.