b-Casomorphin (1-3) amide

(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide

Also Known As: b-Casomorphin (1-3) amide|Tyr-Pro-Phe-NH2||A-Casomorphin (1-3), amide|beta-Casomorphin (1-3), amide|b-Casomorphin (1-3), amide|beta-Casomorphin (1-3) amide acetate salt|HY-P1864|TP1678|L-Phenylalaninamide, L-tyrosyl-L-prolyl-|(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide|1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid ((S)-1-carbamoyl-2-phenyl-ethyl)-amide

Molecular Formula	C23H28N4O4
Molecular Weight	424.21106 g/mol
LogP	0.4658
Topological Polar Surface Area	138.75 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	424.21106
Monoisotopic Mass	424.21106
Heavy Atoms	31
Complexity	916.93353

Chemical Identifiers

CAS Number	80705-23-3
SMILES	C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N