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Chemical structure of Substance P (4-11)

GA23517

Substance P (4-11)

Also known as (2S)-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-(pyrrolidine-2-carbonylamino)pentanediamide

The octapeptide substance P (4-11), PQQFFGLM-amide, seems to be more active than the natural peptide in various pharmacological tests in vitro and in vivo· Octa-substance P was shown to be an agonist of the NK1 receptor, IC?? 15 nM

ChemicalCAS53749-60-3MW966.17FormulaC46H67N11O10S
CAS number
53749-60-3
Molecular weight
966.17
Formula
C46H67N11O10S
Solubility
Soluble in DMSO
InChIKey
XVTHVTVZLLFSPI-YJPQGOKNSA-N
Catalogue number
GA23517
Brand
GLPBIO
Computed properties PubChem CID 171298 · XLogP -0.1 · TPSA 370 Ų · H-bond donors 11
XLogP
-0.1
TPSA
370 Ų
H-bond donors
11
H-bond acceptors
12
Rotatable bonds
30
Heavy atoms
68

SMILES CC(C)CC(C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)C3CCCN3

Computed descriptors from PubChem (CID 171298), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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