Research chemical
CAS Number: 128657-47-6
![N-{(2s)-2-[(N-Acetyl-L-Threonyl-L-Isoleucyl)amino]hexyl}-L-Norleucyl-L-Glutaminyl-N~5~-[amino(Iminio)methyl]-L-Ornithinamide molecular structure, CAS 128657-47-6](/structure-images/128657-47-6.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
449521
Exact Mass
769.517408
InChIKey
MQPXOVRKKPPKFZ-QYKDHROSSA-N
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]hexyl]amino]hexanoyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
SMILES String
CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C
Catalog navigation
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N-{(2s)-2-[(N-Acetyl-L-Threonyl-L-Isoleucyl)amino]hexyl}-L-Norleucyl-L-Glutaminyl-N~5~-[amino(Iminio)methyl]-L-Ornithinamide is identified by CAS 128657-47-6, with molecular formula C35H67N11O8, molecular weight 770, InChIKey MQPXOVRKKPPKFZ-QYKDHROSSA-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
54
H-bond acceptors
19
H-bond donors
15
Rotatable bonds
29
Ring count
0
Aromatic rings
0
Topological polar surface area
328.34 Ų
Computed LogP
-2
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
N-{(2s)-2-[(N-Acetyl-L-Threonyl-L-Isoleucyl)amino]hexyl}-L-Norleucyl-L-Glutaminyl-N~5~-[amino(Iminio)methyl]-L-Ornithinamide (CAS 128657-47-6) is maintained as a commercial cas reference with formula C35H67N11O8, molecular weight 770.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
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Safety and handling reference content is available through documentation requests.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.