TL;DR: dopamine, N-benzyloxycarboxyl-Lys-Pro-amide- (CAS 117992-59-3) is a chemical compound with molecular formula C27H34N4O7 and molecular weight 526.24274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S)-6-amino-1-[[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidine-2-carbonyl]amino]-1-oxohexan-2-yl]carbamate
Also Known As: Z-Lysyl-prolyl-dopamide, Z-Dopamide-lysyl-proline, Dopamine, N-benzyloxycarboxyl-lys-pro-amide-, benzyl N-[(2S)-6-amino-1-[[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidine-2-carbonyl]amino]-1-oxohexan-2-yl]carbamate, L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-lysyl-N-((3,4-dihydroxyphenyl)acetyl)-
| Molecular Formula | C27H34N4O7 |
| Molecular Weight | 526.24274 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 526.24274 Da |
| Heavy Atoms | 38 |
| Complexity | 804.0 |
| SMILES | C1C[C@H](N(C1)C(=O)CC2=CC(=C(C=C2)O)O)C(=O)NC(=O)[C@H](CCCCN)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | BRQQWGQUYHXAEK-SFTDATJTSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dopamine, N-benzyloxycarboxyl-Lys-Pro-amide-. The TPSA of 171.0 Ų indicates high polarity, suggesting dopamine, N-benzyloxycarboxyl-Lys-Pro-amide- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dopamine, N-benzyloxycarboxyl-Lys-Pro-amide- has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of dopamine, N-benzyloxycarboxyl-Lys-Pro-amide- is 117992-59-3.
The molecular formula of dopamine, N-benzyloxycarboxyl-Lys-Pro-amide- is C27H34N4O7.
The molecular weight of dopamine, N-benzyloxycarboxyl-Lys-Pro-amide- is 526.24274 g/mol.
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