Research chemical
CAS Number: 129203-60-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16132435
Exact Mass
4228.825916
InChIKey
VDNVVLOBNHIMQA-UHFFFAOYSA-N
IUPAC Name
5-amino-2-[[2-[[10-[[6-amino-2-[[6-amino-2-[[2-[[2-[[7,34-bis(4-aminobutyl)-37-[[2-[[2-[[2-[[10-(4-aminobutyl)-22-[[3-carboxy-2-[[2-[[3-carboxy-2-[[3-hydroxy-2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoyl]amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-7-(2-carboxyethyl)-13,19-bis(hydroxymethyl)-6,9,12,15,18,21-hexaoxo-16-propan-2-yl-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-25-benzyl-13-(3-carbamimidamidopropyl)-16,31-bis(carboxymethyl)-28-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-19-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-7-(3-carbamimidamidopropyl)-6,9-dioxo-1,2-dithia-5,8-diazacycloundecane-4-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid
SMILES String
CSCCC(NC(=O)C1CSSCC(NC(=O)C(NC(=O)C(CO)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CSSCC(NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(Cc3ccccc3)NC(=O)C3CCC(=O)N3)C(C)O)C(C)C)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)N2)C(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(Cc2ccccc2)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CCCCN)C(=O)N1)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC1CSSCC(C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCC(N)=O)C(=O)O)NC(=O)C(CCCNC(=N)N)NC1=O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
291
H-bond acceptors
105
H-bond donors
69
Rotatable bonds
98
Ring count
9
Aromatic rings
5
Topological polar surface area
1714.43 Ų
Computed LogP
-16.98
Structural features
Iberiotoxin (CAS 129203-60-7) is maintained as a commercial cas reference with formula C179H274N50O55S7, molecular weight 4231. 00 g/mol, PubChem CID 16132435.
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.
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.
Iberiotoxin is identified by CAS 129203-60-7, with molecular formula C179H274N50O55S7, molecular weight 4231, InChIKey VDNVVLOBNHIMQA-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.
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
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.