4-Carboxyclonidine-methyl 3,5-dichlorotyrosine
methyl (2S)-2-[[3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoate
Also Known As: 3,5-Dichloro-St 1984-tme|4-Carboxyclonidine-3,5-dichlorotyrosine methyl ester|4-Carboxyclonidine-methyl 3,5-dichlorotyrosine|methyl (2S)-2-[[3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoate|L-Tyrosine, N-(3,5-dichloro-4-((4,5-dihydro-1H-imidazol-2-yl)amino)benzoyl)-3,5-diiodo-, methyl ester|3,5-Dichloro-4-[(4,5-dihydro-1H-imidazol-2-yl)amino]-N-[(2S)-3-(4-hydroxy-3,5-diiodophenyl)-1-methoxy-1-oxopropan-2-yl]benzene-1-carboximidic acid|3,5-Dichloro-4-[(4,5-dihydro-1H-imidazol-2-yl)amino]-N-[3-(4-hydroxy-3,5-diiodophenyl)-1-methoxy-1-oxopropan-2-yl]benzene-1-carboximidic acid
| Molecular Formula | C20H18Cl2I2N4O4 |
|---|---|
| Molecular Weight | 701.87946 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 701.87946 |
| Monoisotopic Mass | 701.87946 |
| Heavy Atoms | 32 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 75472-83-2 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC(=C(C(=C1)I)O)I)NC(=O)C2=CC(=C(C(=C2)Cl)NC3=NCCN3)Cl |
| InChIKey | WFGVKWPZKIPTRY-HNNXBMFYSA-N |
Product Overview
4-Carboxyclonidine-methyl 3,5-dichlorotyrosine (CAS 75472-83-2), with molecular formula C20H18Cl2I2N4O4 and molecular weight 701.87946 g/mol. IUPAC: methyl (2S)-2-[[3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoate.