Iodoglycyltyrosine 5-hydroxyindole acetic acid
(2S)-2-[[2-[(5-hydroxy-1H-indole-3-carbonyl)amino]acetyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid
Also Known As: Hiaa-igt|5-Hiaa iodoglycyltyrosine|Iodoglycyltyrosine 5-hydroxyindole acetic acid|Iodo-gly-tyr-5-hydroxyindole acetic acid|L-Tyrosine, N-(N-((5-hydroxy-1H-indol-3-yl)carbonyl)glycyl)-3-(iodo-125I)-|(2S)-2-[[2-[(5-hydroxy1H-indole-3-carbonyl)amino]acetyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid|(2S)-2-[[2-[(5-hydroxy-1H-indole-3-carbonyl)amino]acetyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid|N-(1-Hydroxy-2-{[hydroxy(5-hydroxy-1H-indol-3-yl)methylidene]amino}ethylidene)-3-iodo-L-tyrosine|N-(1-Hydroxy-2-{[hydroxy(5-hydroxy-1H-indol-3-yl)methylidene]amino}ethylidene)-3-iodotyrosine
| Molecular Formula | C20H18IN3O6 |
|---|---|
| Molecular Weight | 523.02405 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.02405 |
| Monoisotopic Mass | 523.02405 |
| Heavy Atoms | 30 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 78044-52-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C[C@@H](C(=O)O)NC(=O)CNC(=O)C2=CNC3=C2C=C(C=C3)O)I)O |
| InChIKey | QRXFOGYVYGJCJH-INIZCTEOSA-N |
Product Overview
Iodoglycyltyrosine 5-hydroxyindole acetic acid (CAS 78044-52-7), with molecular formula C20H18IN3O6 and molecular weight 523.02405 g/mol. IUPAC: (2S)-2-[[2-[(5-hydroxy-1H-indole-3-carbonyl)amino]acetyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid.