Research chemical
CAS Number: 209615-79-2
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Product details
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PubChem CID
90488834
Exact Mass
5257.552255
InChIKey
XXBSYMBQWAWYIX-UHFFFAOYSA-N
IUPAC Name
2-[[91-[[2-[[1-[2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-24,44,62-tris(4-aminobutyl)-9-(2-amino-2-oxoethyl)-76-(3-amino-3-oxopropyl)-15-benzyl-50-butan-2-yl-4a,53,65-tris(3-carbamimidamidopropyl)-79-(2-carboxyethyl)-35,88-bis(carboxymethyl)-10a-(1-hydroxyethyl)-12,13a-bis(hydroxymethyl)-56,71,85-trimethyl-18,21,41-tris(2-methylpropyl)-2a,5a,7,8a,10,11a,13,14a,16,19,22,25,34,37,40,43,46,49,52,55,58,61,64,67,70,73,75,78,81,84,87,90,96-tritriacontaoxo-68-propan-2-yl-3,4,29,30,93,94-hexathia-3a,6a,8,9a,11,12a,14,15a,17,20,23,26,33,36,39,42,45,48,51,54,57,60,63,66,69,72,74,77,80,83,86,89,97-tritriacontazatetracyclo[36.35.22.206,32.097,101]pentadecahectane-27-carbonyl]amino]-4-methylpentanoic acid
SMILES String
CCC(C)C(N)C(=O)N1CCCC1C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(N)=O)C(=O)NC(C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)NC1CSSCC2NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(C(C)CC)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CSSCC3NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C4CCCN4C(=O)C(CSSCC(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc4ccccc4)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC3=O)NC(=O)C(CC(=O)O)NC2=O)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(CC(=O)O)NC1=O)C(C)C)C(C)CC
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
363
H-bond acceptors
130
H-bond donors
84
Rotatable bonds
105
Ring count
9
Aromatic rings
3
Topological polar surface area
2100.07 Ų
Computed LogP
-19.48
Structural features
CART (55-102) (rat) (CAS 209615-79-2) is maintained as a commercial cas reference with formula C226H367N65O65S7, molecular weight 5259. 00 g/mol, PubChem CID 90488834.
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.
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Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
CART (55-102) (rat) is identified by CAS 209615-79-2, with molecular formula C226H367N65O65S7, molecular weight 5259, InChIKey XXBSYMBQWAWYIX-UHFFFAOYSA-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.
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.
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.