thyrotropin-releasing hormone, linear beta-Ala-

(2S)-N-[(2S)-1-[(2S)-2-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Also Known As: Trh, linear beta-alanine|Pglu-his-pro-beta-ala-NH2|Pyroglutamyl-histidyl-prolyl-beta-alaninamide|Linear beta-ala-thyrotropin-releasing hormone|Thyrotropin-releasing hormone, linear beta-ala-|Thyrotropin-releasing hormone, linear beta-alanine-|beta-Alaninamide, 5-oxo-L-prolyl-L-histidyl-L-prolyl-|2-[(2-fluorophenyl)methylsulfanyl]-4,6-dimethylpyrimidine|5-oxo-l-prolyl-3-(4h-imidazol-4-yl)-l-alanyl-l-prolyl-|A-alaninamide|(2S)-5-Hydroxy-N-[(2S)-1-[(2S)-2-{hydroxy[(3-hydroxy-3-iminopropyl)imino]methyl}pyrrolidin-1-yl]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyrrole-2-carboximidic acid|(2S)-N-[(2S)-1-[(2S)-2-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidin-1-yl]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide|5-Hydroxy-N-[1-(2-{hydroxy[(3-hydroxy-3-iminopropyl)imino]methyl}pyrrolidin-1-yl)-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyrrole-2-carboximidic acid

Molecular Formula	C19H27N7O5
Molecular Weight	433.20737 g/mol
LogP	-3.1
Topological Polar Surface Area	175.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	433.20737
Monoisotopic Mass	433.20737
Heavy Atoms	31
Complexity	811.0

Chemical Identifiers

CAS Number	6339-60-2
SMILES	C1C[C@H](N(C1)C(=O)[C@H](CC2C=NC=N2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)NCCC(=O)N
InChIKey	VDIHZVSUBVGORU-LNIMBWABSA-N