TL;DR: Mastoparan B (CAS 137354-65-5) is a chemical compound with molecular formula C78H138N20O16 and molecular weight 1611.0599 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]hexanamide
Also Known As: Mastoparan B, mastoparan-B, MP-B, Mast cell degranulating peptide (vespa basalis), (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]hexanamide
| Molecular Formula | C78H138N20O16 |
| Molecular Weight | 1611.0599 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 608.0 Ų |
| Hydrogen Bond Donors | 22 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 57 |
| Exact Mass | 1611.0599 Da |
| Heavy Atoms | 114 |
| Complexity | 3040.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(C)C)N |
| InChIKey | NSFBOCKFBVQQKB-LTKSBDBTSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mastoparan B. The TPSA of 608.0 Ų indicates high polarity, suggesting Mastoparan B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mastoparan B has 22 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Mastoparan B is 137354-65-5.
The molecular formula of Mastoparan B is C78H138N20O16.
The molecular weight of Mastoparan B is 1611.0599 g/mol.
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