TL;DR: H-Gly-Pen-Gly-Arg-Gly-Asp-Ser-Pro-Cys-Ala-OH (CAS 126716-28-7) is a chemical compound with molecular formula C35H59N13O14S2 and molecular weight 949.3746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-[[2-[[(2S)-2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-methyl-3-sulfanylbutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2R)-1-[[(1S)-1-carboxyethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Also Known As: G-Pen-GRGDSPCA, H-Gly-Pen-Gly-Arg-Gly-Asp-Ser-Pro-Cys-Ala-OH, HY-P3525, Gly-Pen-Gly-Arg-Gly-Asp-Ser-Pro-Cys-Ala, (3S)-3-[[2-[[(2S)-2-[[2-[[(2R)-2-[(2-aminoacetyl)amino]-3-methyl-3-sulfanylbutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2R)-1-[[(1S)-1-carboxyethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
| Molecular Formula | C35H59N13O14S2 |
| Molecular Weight | 949.3746 g/mol |
| XLogP | -8.8 |
| Topological Polar Surface Area (TPSA) | 440.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 27 |
| Exact Mass | 949.3746 Da |
| Heavy Atoms | 64 |
| Complexity | 1770.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](C(C)(C)S)NC(=O)CN |
| InChIKey | PGHOMSJTGFXHJE-SFHRIDMQSA-N |
The XLogP value of -8.8 indicates that H-Gly-Pen-Gly-Arg-Gly-Asp-Ser-Pro-Cys-Ala-OH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 440.0 Ų indicates high polarity, suggesting H-Gly-Pen-Gly-Arg-Gly-Asp-Ser-Pro-Cys-Ala-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-Gly-Pen-Gly-Arg-Gly-Asp-Ser-Pro-Cys-Ala-OH has 16 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of H-Gly-Pen-Gly-Arg-Gly-Asp-Ser-Pro-Cys-Ala-OH is 126716-28-7.
The molecular formula of H-Gly-Pen-Gly-Arg-Gly-Asp-Ser-Pro-Cys-Ala-OH is C35H59N13O14S2.
The molecular weight of H-Gly-Pen-Gly-Arg-Gly-Asp-Ser-Pro-Cys-Ala-OH is 949.3746 g/mol.
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