Product Name
(Ala2)-Endothelin-3 (human, mouse, rabbit, rat) trifluoroacetate salt
Product Number
CPTD783468
Certificate of Analysis (COA)
IUPAC Name
(3S)-3-(2S)-2-(2S)-2-(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-amino-7,13-bis(4-aminobutyl)-22-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-19-(1R)-1-hydroxyethyl-16,39,42-tris(4-hydroxyphenyl)methyl-28-methyl-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-45-propan-2-yl-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo23.22.4henpentacontane-36-carbonylamino-3-(1H-imidazol-5-yl)propanoylamino-4-methylpentanoylamino-4-(2S,3S)-1-(2S,3S)-1-(1S)-1-carboxy-2-(1H-indol-3-yl)ethylamino-3-methyl-1-oxopentan-2-ylamino-3-methyl-1-oxopentan-2-ylamino-4-oxobutanoic acid
InChI Key
XZAVPRKBMSVGAJ-SBMUBNPJSA-N
SMILES
CCC@H(C)C@@H(C(=O)NC@@H(C@@H(C)CC)C(=O)NC@@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)NC(=O)C@@H4CSSCC@@H(C(=O)NC@H(C(=O)NC@H5CSSCC@@H(C(=O)NC@H(C(=O)NC@H(C(=O)NC@H(C(=O)N4)CC6=CC=C(C=C6)O)CC7=CC=C(C=C7)O)C(C)C)NC(=O)C@@H(NC(=O)C@@H(NC(=O)C@@H(NC(=O)C@@H(NC(=O)C@@H(NC(=O)C@@H(NC(=O)C@@H(NC5=O)CC8=CC=CC=C8)C@@H(C)O)CC9=CC=C(C=C9)O)CCCCN)CC(=O)O)CCCCN)CCC(=O)O)C)N
