TL;DR: Acetyl-(D-Trp16)-Endothelin-1 (16-21) Ac-D-Trp-Leu-Asp-Ile-Ile-Trp-OH (CAS 143037-33-6) is a chemical compound with molecular formula C46H62N8O10 and molecular weight 886.45886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Also Known As: Acetyl-(D-Trp16)-Endothelin-1 (16-21) Ac-D-Trp-Leu-Asp-Ile-Ile-Trp-OH, N-Acetyl-D-tryptophyl-L-leucyl-D-a-aspartyl-L-isoleucyl-D-alloisoleucyl-L-tryptophan, 3-[[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[1-[[1-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
| Molecular Formula | C46H62N8O10 |
| Molecular Weight | 886.45886 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 281.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 24 |
| Exact Mass | 886.45886 Da |
| Heavy Atoms | 64 |
| Complexity | 1650.0 |
| SMILES | CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C |
| InChIKey | ZYNCQGUPXUKGPO-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that Acetyl-(D-Trp16)-Endothelin-1 (16-21) Ac-D-Trp-Leu-Asp-Ile-Ile-Trp-OH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 281.0 Ų indicates high polarity, suggesting Acetyl-(D-Trp16)-Endothelin-1 (16-21) Ac-D-Trp-Leu-Asp-Ile-Ile-Trp-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetyl-(D-Trp16)-Endothelin-1 (16-21) Ac-D-Trp-Leu-Asp-Ile-Ile-Trp-OH has 10 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Acetyl-(D-Trp16)-Endothelin-1 (16-21) Ac-D-Trp-Leu-Asp-Ile-Ile-Trp-OH is 143037-33-6.
The molecular formula of Acetyl-(D-Trp16)-Endothelin-1 (16-21) Ac-D-Trp-Leu-Asp-Ile-Ile-Trp-OH is C46H62N8O10.
The molecular weight of Acetyl-(D-Trp16)-Endothelin-1 (16-21) Ac-D-Trp-Leu-Asp-Ile-Ile-Trp-OH is 886.45886 g/mol.
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