Research chemical
CAS Number: 863987-12-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16156119
Exact Mass
1927.210824
InChIKey
CRKARHQCXWSUMV-HOHDCHNJSA-N
IUPAC Name
(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S,3S)-2-[[(2S)-3-hydroxy-2-(tetradecanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
SMILES String
CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC
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.
z-Pseudosubstrate inhibitory peptide is identified by CAS 863987-12-6, with molecular formula C90H154N30O17, molecular weight 1928.4, InChIKey CRKARHQCXWSUMV-HOHDCHNJSA-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.
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Ordering
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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
137
H-bond acceptors
47
H-bond donors
39
Rotatable bonds
71
Ring count
3
Aromatic rings
3
Topological polar surface area
807.37 Ų
Computed LogP
-2.07
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
z-Pseudosubstrate inhibitory peptide (CAS 863987-12-6) is maintained as a commercial cas reference with formula C90H154N30O17, molecular weight 1928. 40 g/mol, PubChem CID 16156119.
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.