Research chemical
CAS Number: 180981-09-3
![D-Arg-[Hyp3, IgI5, D-IgI7, Oic8]Bradykinin molecular structure, CAS 180981-09-3](/structure-images/180981-09-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5311119
Exact Mass
1337.735674
InChIKey
PVNQRMOWAXFQHU-CINYOIHISA-N
IUPAC Name
(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
SMILES String
N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C1Cc2ccccc2C1)C1Cc2ccccc2C1
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.
D-Arg-[Hyp3, IgI5, D-IgI7, Oic8]Bradykinin is identified by CAS 180981-09-3, with molecular formula C64H95N19O13, molecular weight 1338.6, InChIKey PVNQRMOWAXFQHU-CINYOIHISA-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
96
H-bond acceptors
32
H-bond donors
23
Rotatable bonds
31
Ring count
8
Aromatic rings
2
Topological polar surface area
525.01 Ų
Computed LogP
-4.34
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
D-Arg-[Hyp3, IgI5, D-IgI7, Oic8]Bradykinin (CAS 180981-09-3) is maintained as a commercial cas reference with formula C64H95N19O13, molecular weight 1338. 60 g/mol, PubChem CID 5311119.
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.