Caerulein

Test Ligands Values Explained

Test Ligand ID - A unique identifier for the test ligand
Ligand Name - Name of the test ligand

Test Ligand ID2671
Ligand NameCaerulein
PubMed Compound Id3082176
StructureProduct Image
Molecular FormulaC44H55N9O14S2
Molecular Weight998.1
SMILESC[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)N)O
SynonymsCerulein 7
Caerulein-7
20994-86-9
DTXSID20175204
Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-3-de-L-aspartic acid-
DTXCID2097695
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Created AtJan 13, 2025 2:47 pm
Updated AtJan 13, 2025 2:47 pm