TL;DR: Cyclo(sulfoalanyl-prolyl-valyl-leucyl-tryptophyl) (CAS 139346-17-1) is a chemical compound with molecular formula C30H42N6O8S and molecular weight 646.2785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-3-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-2,5-dihydropyrrol-1-yl]-3-oxopropane-1-sulfonic acid
Also Known As: Cyclo(sal-pro-val-leu-trp-), BQ 153, Cyclo(sulfoalanyl-prolyl-valyl-leucyl-tryptophyl), c(D-Trp-D-cys(SO3-Na+)-pro-D-val-leu), Cyclo(D-sal-L-pro-D-val-L-leu-D-trp-)
| Molecular Formula | C30H42N6O8S |
| Molecular Weight | 646.2785 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 229.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 646.2785 Da |
| Heavy Atoms | 45 |
| Complexity | 1220.0 |
| SMILES | CC(C)C[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C=O)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]3C=CCN3C(=O)[C@@H](CS(=O)(=O)O)N |
| InChIKey | HYNSSBPBTFFZKW-OUPFVLIJSA-N |
The XLogP value of -1.3 indicates that Cyclo(sulfoalanyl-prolyl-valyl-leucyl-tryptophyl) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 229.0 Ų indicates high polarity, suggesting Cyclo(sulfoalanyl-prolyl-valyl-leucyl-tryptophyl) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclo(sulfoalanyl-prolyl-valyl-leucyl-tryptophyl) has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cyclo(sulfoalanyl-prolyl-valyl-leucyl-tryptophyl) is 139346-17-1.
The molecular formula of Cyclo(sulfoalanyl-prolyl-valyl-leucyl-tryptophyl) is C30H42N6O8S.
The molecular weight of Cyclo(sulfoalanyl-prolyl-valyl-leucyl-tryptophyl) is 646.2785 g/mol.
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