TL;DR: Antileukinate (CAS 138559-60-1) is a chemical compound with molecular formula C45H66N18O7S and molecular weight 1002.50824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Also Known As: antileukinate, IL-8 Inhibitor, Interleukin-8 Inhibitor, SID:53787516, J1.085.122J
| Molecular Formula | C45H66N18O7S |
| Molecular Weight | 1002.50824 g/mol |
| XLogP | -2.6 |
| Topological Polar Surface Area (TPSA) | 443.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 29 |
| Exact Mass | 1002.50824 Da |
| Heavy Atoms | 71 |
| Complexity | 1900.0 |
| SMILES | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N |
| InChIKey | FVRBFNYUBYTVIQ-NGTAMTFRSA-N |
The XLogP value of -2.6 indicates that Antileukinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 443.0 Ų indicates high polarity, suggesting Antileukinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antileukinate has 16 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Antileukinate is 138559-60-1.
The molecular formula of Antileukinate is C45H66N18O7S.
The molecular weight of Antileukinate is 1002.50824 g/mol.
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