TL;DR: N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-valyl-D-valine (CAS 1173689-41-2) is a chemical compound with molecular formula C19H26N4O5 and molecular weight 390.1903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-methyl-2-[[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]amino]butanoic acid
Also Known As: N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-valyl-D-valine, N-[(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)carbonyl]-L-valyl-D-valine, (2R)-3-methyl-2-[[(2S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]amino]butanoic acid, (R)-3-methyl-2-((S)-3-methyl-2-(3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)butanamido)butanoic acid
| Molecular Formula | C19H26N4O5 |
| Molecular Weight | 390.1903 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.1903 Da |
| Heavy Atoms | 28 |
| Complexity | 621.0 |
| SMILES | CC(C)[C@@H](C(=O)N[C@H](C(C)C)C(=O)O)NC(=O)N1CC(=O)NC2=CC=CC=C21 |
| InChIKey | WQAUWBSYJYHURB-JKSUJKDBSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-valyl-D-valine. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-valyl-D-valine. Following Lipinski's Rule of Five, N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-valyl-D-valine has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-valyl-D-valine is 1173689-41-2.
The molecular formula of N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-valyl-D-valine is C19H26N4O5.
The molecular weight of N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-valyl-D-valine is 390.1903 g/mol.
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