Research chemical
CAS Number: 219552-69-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16198073
Exact Mass
1999.187522
InChIKey
NFEQUGKCQWAGLY-UAAVROCESA-N
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-5-carbamimidamido-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]pentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
SMILES String
CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O
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.
Parasin I is identified by CAS 219552-69-9, with molecular formula C82H154N34O24, molecular weight 2000.3, InChIKey NFEQUGKCQWAGLY-UAAVROCESA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
140
H-bond acceptors
58
H-bond donors
48
Rotatable bonds
76
Ring count
0
Aromatic rings
0
Topological polar surface area
1006.7 Ų
Computed LogP
-15.59
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
organic nitrogen ligand candidate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
Parasin I (CAS 219552-69-9) is maintained as a commercial cas reference with formula C82H154N34O24, molecular weight 2000. 30 g/mol, PubChem CID 16198073.
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.
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.