Research chemical
CAS Number: 2828433-10-7
![[Sar9,Met(O2)11]-Substance P TFA molecular structure, CAS 2828433-10-7](/structure-images/2828433-10-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
163335260
Exact Mass
1506.726489
InChIKey
VDZDOTCGVUBCPG-LYQMAKBCSA-N
IUPAC Name
(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide;2,2,2-trifluoroacetic acid
SMILES String
CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O.O=C(O)C(F)(F)F
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.
[Sar9,Met(O2)11]-Substance P TFA is identified by CAS 2828433-10-7, with molecular formula C66H101F3N18O17S, molecular weight 1507.7, InChIKey VDZDOTCGVUBCPG-LYQMAKBCSA-N.
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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
105
H-bond acceptors
35
H-bond donors
22
Rotatable bonds
42
Ring count
4
Aromatic rings
2
Topological polar surface area
579.28 Ų
Computed LogP
-3.84
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
[Sar9,Met(O2)11]-Substance P TFA (CAS 2828433-10-7) is maintained as a commercial cas reference with formula C66H101F3N18O17S, molecular weight 1507. 70 g/mol, PubChem CID 163335260.
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.