TL;DR: deamino-Cys-hArg-Gly-Asp-Trp-Pro-Cys-NH2 (CAS 135900-78-6) is a chemical compound with molecular formula C35H51N11O9S2 and molecular weight 833.33124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-4-[[(2S)-1-[(2S)-2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[[2-[[(2S)-6-(diaminomethylideneamino)-2-(3-sulfanylpropanoylamino)hexanoyl]amino]acetyl]amino]-4-oxobutanoic acid
| Molecular Formula | C35H51N11O9S2 |
| Molecular Weight | 833.33124 g/mol |
| XLogP | -2.7 |
| Topological Polar Surface Area (TPSA) | 328.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Exact Mass | 833.33124 Da |
| Heavy Atoms | 57 |
| Complexity | 1490.0 |
| SMILES | C1C[C@H](N(C1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN=C(N)N)NC(=O)CCS)C(=O)N[C@@H](CS)C(=O)N |
| InChIKey | BNVXDQCMSQOXSS-LROMGURASA-N |
The XLogP value of -2.7 indicates that deamino-Cys-hArg-Gly-Asp-Trp-Pro-Cys-NH2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 328.0 Ų indicates high polarity, suggesting deamino-Cys-hArg-Gly-Asp-Trp-Pro-Cys-NH2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, deamino-Cys-hArg-Gly-Asp-Trp-Pro-Cys-NH2 has 12 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of deamino-Cys-hArg-Gly-Asp-Trp-Pro-Cys-NH2 is 135900-78-6.
The molecular formula of deamino-Cys-hArg-Gly-Asp-Trp-Pro-Cys-NH2 is C35H51N11O9S2.
The molecular weight of deamino-Cys-hArg-Gly-Asp-Trp-Pro-Cys-NH2 is 833.33124 g/mol.
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