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Chemical structure of Endothelin (16-21)

GA21419

Endothelin (16-21)

Also known as (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

The endothelin C-terminal fragment HLDIIW was found to be a full agonist at ET-B receptors while being inactive or weakly active at ET-A receptors· The tryptophan in position 21 played a key role in the activity of ET (16-21) at the ET-B receptors

ChemicalCAS121377-67-1MW795.94FormulaC39H57N9O9
CAS number
121377-67-1
Molecular weight
795.94
Formula
C39H57N9O9
Solubility
Soluble in DMSO
InChIKey
NTSBFTNRWQVBCA-IVGDYKFASA-N
Catalogue number
GA21419
Brand
GLPBIO
Computed properties PubChem CID 129432 · XLogP -1 · TPSA 291 Ų · H-bond donors 10
XLogP
-1
TPSA
291 Ų
H-bond donors
10
H-bond acceptors
11
Rotatable bonds
23
Heavy atoms
57

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)N

Computed descriptors from PubChem (CID 129432), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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