Research chemical
CAS Number: 3085809-95-3
Product details
PubChem CID
172677248
Exact Mass
2298.918646
InChIKey
VKDWYSICSHFUSA-OWOSNWKNSA-N
IUPAC Name
(3R,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,45S,48S,51R)-39-(2-amino-2-oxoethyl)-18-(3-amino-3-oxopropyl)-15,48-dibenzyl-21-(2-carboxyethyl)-12-(carboxymethyl)-6-[(1R)-1-hydroxyethyl]-9-(hydroxymethyl)-24,27,51-tris[(4-hydroxyphenyl)methyl]-33-(1H-imidazol-4-ylmethyl)-30,45-bis(1H-indol-3-ylmethyl)-36-(2-methylpropyl)-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecaoxo-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecazacyclotetrapentacontane-3-carboxylic acid
SMILES String
CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)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.
Ac(1)-D-Tyr-Phe-Trp-Gly-Asn-Leu-His-Trp-Tyr-Tyr-Glu-Gln-Phe-Asp-Ser-Thr-Cys(1)-OH is identified by CAS 3085809-95-3, with molecular formula C111H131N23O30S, molecular weight 2299.4, InChIKey VKDWYSICSHFUSA-OWOSNWKNSA-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.
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
165
H-bond acceptors
53
H-bond donors
32
Rotatable bonds
31
Ring count
11
Aromatic rings
10
Topological polar surface area
854.19 Ų
Computed LogP
-3.67
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
Ac(1)-D-Tyr-Phe-Trp-Gly-Asn-Leu-His-Trp-Tyr-Tyr-Glu-Gln-Phe-Asp-Ser-Thr-Cys(1)-OH (CAS 3085809-95-3) is maintained as a commercial cas reference with formula C111H131N23O30S, molecular weight 2299. 40 g/mol, PubChem CID 172677248.
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.