TL;DR: JG 365 (CAS 132748-20-0) is a chemical compound with molecular formula C42H68N8O11 and molecular weight 860.50073 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[(2S,3S)-2-[[(2S)-1-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
Also Known As: JG 365, (S)-JG-365, methyl (2S)-2-[[(2S,3S)-2-[[(2S)-1-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate, Acetyl-seryl-leucyl-asparaginyl-phenylalanyl-psi-(2-hydroxy-1-ethylamine)-prolyl-isoleucyl-valine-methoxy, methyl (3-((S)-2-((S)-2-((S)-2-acetamido-3-hydroxypropanamido)-4-methylpentanamido)-4-amino-4-oxobutanamido)-2-hydroxy-4-phenylbutyl)-L-prolyl-L-isoleucyl-L-valinate
| Molecular Formula | C42H68N8O11 |
| Molecular Weight | 860.50073 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 288.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 26 |
| Exact Mass | 860.50073 Da |
| Heavy Atoms | 61 |
| Complexity | 1490.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@@H]1CCCN1CC(C(CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)C)O |
| InChIKey | MJOXWVYKMFPFPL-AIVXTZMUSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for JG 365. The TPSA of 288.0 Ų indicates high polarity, suggesting JG 365 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, JG 365 has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of JG 365 is 132748-20-0.
The molecular formula of JG 365 is C42H68N8O11.
The molecular weight of JG 365 is 860.50073 g/mol.
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