TL;DR: Pneumadin (human) (CAS 130918-91-1) is a chemical compound with molecular formula C41H70N12O14 and molecular weight 954.5134 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-[[6-amino-1-[[1-[[1-[[1-[[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-[[2-(2-aminopropanoylamino)acetyl]amino]-5-oxopentanoic acid
Also Known As: Pneumadin (human), Pneumadin Human, H-AGEPKLDAGV-NH2, Ala-gly-glu-pro-lys-leu-asp-ala-gly-val-NH2, H-Ala-Gly-Glu-Pro-Lys-Leu-Asp-Ala-Gly-Val-NH2
| Molecular Formula | C41H70N12O14 |
| Molecular Weight | 954.5134 g/mol |
| XLogP | -8.0 |
| Topological Polar Surface Area (TPSA) | 423.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 30 |
| Exact Mass | 954.5134 Da |
| Heavy Atoms | 67 |
| Complexity | 1800.0 |
| SMILES | CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NCC(=O)NC(C(C)C)C(=O)N)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(C)N |
| InChIKey | XJQVRHLUBBHVRK-UHFFFAOYSA-N |
The XLogP value of -8.0 indicates that Pneumadin (human) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 423.0 Ų indicates high polarity, suggesting Pneumadin (human) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pneumadin (human) has 13 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pneumadin (human) is 130918-91-1.
The molecular formula of Pneumadin (human) is C41H70N12O14.
The molecular weight of Pneumadin (human) is 954.5134 g/mol.
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