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Chemical structure of [Glp5,(Me)Phe8,Sar9] Substance P (5-11)

GC76552

[Glp5,(Me)Phe8,Sar9] Substance P (5-11)

Also known as (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanediamide

[Glp5,(Me)Phe8,Sar9] Substance P (5-11) (DiMe-C7) is a Substance P analogue that has approximately the same effects as Substance P on neurokinin 1 receptor (NK1R) in rat brain, but with a much longer duration of action

ChemicalCAS77128-69-9MW880.06FormulaC43H61N9O9S
CAS number
77128-69-9
Molecular weight
880.06
Formula
C43H61N9O9S
Solubility
DMSO: ≥ 100 mg/mL (113·63 mM)
InChIKey
IEEBRBMEXFNVKU-CVUOCSEZSA-N
Catalogue number
GC76552
Brand
GLPBIO
Computed properties PubChem CID 123994 · XLogP 1 · TPSA 298 Ų · H-bond donors 7
XLogP
1
TPSA
298 Ų
H-bond donors
7
H-bond acceptors
10
Rotatable bonds
25
Heavy atoms
62

SMILES CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CN(C)C(=O)[C@H](CC1=CC=CC=C1)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCC(=O)N3

Computed descriptors from PubChem (CID 123994), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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