Research chemical
CAS Number: 2445822-54-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
172419333
Exact Mass
1787.094731
InChIKey
PXMZZYSWAXSIMV-XWOIBVINSA-N
IUPAC Name
(2S)-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carboxamide
SMILES String
CCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C
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.
H-Nle-Pro-D-Phe-Arg-D-Trp-Phe-Lys-Ala-Val-Gly-Lys-Lys-Arg-Arg-NH2 is identified by CAS 2445822-54-6, with molecular formula C86H138N28O14, molecular weight 1788.2, InChIKey PXMZZYSWAXSIMV-XWOIBVINSA-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
128
H-bond acceptors
42
H-bond donors
35
Rotatable bonds
60
Ring count
5
Aromatic rings
4
Topological polar surface area
718.17 Ų
Computed LogP
-3.51
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
H-Nle-Pro-D-Phe-Arg-D-Trp-Phe-Lys-Ala-Val-Gly-Lys-Lys-Arg-Arg-NH2 (CAS 2445822-54-6) is maintained as a commercial cas reference with formula C86H138N28O14, molecular weight 1788. 20 g/mol, PubChem CID 172419333.
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.