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Chemical structure of Granuliberin-R

GA21921

Granuliberin-R

Also known as N-[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide

Granuliberin-R is a mast cell degranulating peptide, originally isolated from the skin of the frog Rana rugosa

ChemicalCAS64704-41-2MW1422.7FormulaC69H103N19O14
CAS number
64704-41-2
Molecular weight
1422.7
Formula
C69H103N19O14
Solubility
Soluble in DMSO
InChIKey
IQNSWGKGZHMSIZ-UHFFFAOYSA-N
Catalogue number
GA21921
Brand
GLPBIO
Computed properties PubChem CID 25082836 · XLogP -0.3 · TPSA 541 Ų · H-bond donors 17
XLogP
-0.3
TPSA
541 Ų
H-bond donors
17
H-bond acceptors
17
Rotatable bonds
40
Heavy atoms
102

SMILES CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CO)C(=O)N)NC(=O)C3CCCN3C(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)C(CC5=CC=CC=C5)N

Computed descriptors from PubChem (CID 25082836), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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