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Chemical structure of Ac-Leu-Asp-Gln-Trp-Phe-Gly-NH₂

GA20589

Ac-Leu-Asp-Gln-Trp-Phe-Gly-NH₂

Also known as (3S)-3-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid

R396, Ac-LDQWFG-amide, is a tachykinin antagonist selective for the putative NK-2B receptor subtype

ChemicalCAS129809-09-2MW805.89FormulaC39H51N9O10
CAS number
129809-09-2
Molecular weight
805.89
Formula
C39H51N9O10
Solubility
Soluble in DMSO
InChIKey
VTQMNICJVWMKEV-QKUYTOGTSA-N
Catalogue number
GA20589
Brand
GLPBIO
Computed properties PubChem CID 164286 · XLogP -0.5 · TPSA 314 Ų · H-bond donors 10
XLogP
-0.5
TPSA
314 Ų
H-bond donors
10
H-bond acceptors
10
Rotatable bonds
23
Heavy atoms
58

SMILES CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N)NC(=O)C

Computed descriptors from PubChem (CID 164286), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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