[3H]MeTRH   

GtoPdb Ligand ID: 2141

Synonyms: [3H]Me-thyrotropin-releasing hormone | [3H]pGlu-His(1(τ)-methyl)-ProNH2
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 141.49
Molecular weight 376.19
XLogP -2.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(N1CCCC1C(=O)N)C(NC(=O)C1CCC(=O)N1C)Cc1[nH]cnc1
Isomeric SMILES O=C(N1CCC[C@H]1C(=O)N)[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)Cc1[nH]cnc1
InChI InChI=1S/C17H24N6O4/c1-22-13(4-5-14(22)24)16(26)21-11(7-10-8-19-9-20-10)17(27)23-6-2-3-12(23)15(18)25/h8-9,11-13H,2-7H2,1H3,(H2,18,25)(H,19,20)(H,21,26)/t11-,12-,13-/m0/s1
InChI Key DJLHRAHTTSWYAW-AVGNSLFASA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
Synonyms
[3H]Me-thyrotropin-releasing hormone | [3H]pGlu-His(1(τ)-methyl)-ProNH2
Database Links
GtoPdb PubChem SID 135651176
PubChem CID 5311291
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