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Chemical structure of CLIP (86-100)

GC76505

CLIP (86-100)

Also known as 2-[[5-amino-2-[[2-[[2-[[2-[[1-[2-[2-[[2-[[2-[[2-[[6-amino-2-[[3-hydroxy-2-[[3-methyl-2-(pyrrolidine-2-carbonylamino)butanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoylamino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]propanoic acid

CLIP (86-100) is amino acids 86 to 100 fragment of class II-associated invariant chain peptide (CLIP)

ChemicalCAS648881-58-7MW1674.1FormulaC72H128N20O19S3
CAS number
648881-58-7
Molecular weight
1674.1
Formula
C72H128N20O19S3
InChIKey
WMBSDMIQCRNTSY-UHFFFAOYSA-N
Catalogue number
GC76505
Brand
GLPBIO
Computed properties PubChem CID 146159410 · XLogP -4.3 · TPSA 698 Ų · H-bond donors 21
XLogP
-4.3
TPSA
698 Ų
H-bond donors
21
H-bond acceptors
25
Rotatable bonds
55
Heavy atoms
114

SMILES CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C2CCCN2

Computed descriptors from PubChem (CID 146159410), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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