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Chemical structure of (Trp¹¹)-Neurotensin

GA20314

(Trp¹¹)-Neurotensin

Also known as (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-4-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid

This neurotensin analog, in which Tyr¹¹ is substituted by Trp, was found to be as potent as neurotensin in both binding and biological assays in the rat· In contrast, this analog was about 10 times less potent than neurotensin in the guinea-pig

ChemicalCAS75644-95-0MW1695.99FormulaC80H122N22O19
CAS number
75644-95-0
Molecular weight
1695.99
Formula
C80H122N22O19
Solubility
Soluble in DMSO
InChIKey
XHUBQRRWQWIRQR-HDZFXEKZSA-N
Catalogue number
GA20314
Brand
GLPBIO
Computed properties PubChem CID 16132145 · XLogP -2.5 · TPSA 664 Ų · H-bond donors 23
XLogP
-2.5
TPSA
664 Ų
H-bond donors
23
H-bond acceptors
22
Rotatable bonds
52
Heavy atoms
121

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]6CCC(=O)N6

Computed descriptors from PubChem (CID 16132145), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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