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Chemical structure of Angstrom6

GC61511

Angstrom6

Also known as (4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid

Angstrom6 (A6 Peptide) is an 8 amino-acid peptide derived from single-chain urokinase plasminogen activator (scuPA) and interferes with the uPA/uPAR cascade and abrogates downstream effects· Angstrom6 binds to CD44 resulting in the inhibition of migration, invasion, and metastasis of tumor cells, and the modulation of CD44-mediated cell signaling

ChemicalCAS220334-14-5MW910.97FormulaC39H62N10O15
CAS number
220334-14-5
Molecular weight
910.97
Formula
C39H62N10O15
InChIKey
NJSODKGEFNFGRI-PJYAFMLMSA-N
Catalogue number
GC61511
Brand
GLPBIO
Computed properties PubChem CID 42638946 · XLogP -7.6 · TPSA 391 Ų · H-bond donors 11
XLogP
-7.6
TPSA
391 Ų
H-bond donors
11
H-bond acceptors
16
Rotatable bonds
25
Heavy atoms
64

SMILES CC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N

Computed descriptors from PubChem (CID 42638946), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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