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Chemical structure of [Nle11]-Substance P

GC35019

[Nle11]-Substance P

Also known as (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-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]pentanediamide

[Nle11]-Substance P is a substance P analog that avoids methionine oxidation problems

ChemicalCAS57462-42-7MW1329.59FormulaC64H100N18O13
CAS number
57462-42-7
Molecular weight
1329.59
Formula
C64H100N18O13
Solubility
Soluble in DMSO
InChIKey
ZEPTUBCWHRSMIP-SARDKLJWSA-N
Catalogue number
GC35019
Brand
GLPBIO
Computed properties PubChem CID 11332346 · XLogP -1.5 · TPSA 519 Ų · H-bond donors 15
XLogP
-1.5
TPSA
519 Ų
H-bond donors
15
H-bond acceptors
16
Rotatable bonds
42
Heavy atoms
95

SMILES CCCC[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)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)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N

Computed descriptors from PubChem (CID 11332346), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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