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Chemical structure of (Tyr⁸)-Substance P

GA20337

(Tyr⁸)-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-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide

This analog of substance P was synthesized for iodination

ChemicalCAS55614-10-3MW1363.65FormulaC63H98N18O14S
CAS number
55614-10-3
Molecular weight
1363.65
Formula
C63H98N18O14S
Solubility
Soluble in DMSO
InChIKey
MSKLWPIJUANGPO-CUZNLEPHSA-N
Catalogue number
GA20337
Brand
GLPBIO
Computed properties PubChem CID 9877153 · XLogP -2.7 · TPSA 565 Ų · H-bond donors 16
XLogP
-2.7
TPSA
565 Ų
H-bond donors
16
H-bond acceptors
18
Rotatable bonds
42
Heavy atoms
96

SMILES CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=C(C=C1)O)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 9877153), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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