TL;DR: H-Thr-Leu-Gly-Ile-Val-Cys-Pro-Ile-OH (CAS 160212-93-1) is a chemical compound with molecular formula C37H66N8O10S and molecular weight 814.4623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
Also Known As: HPV16 E7 86-93, HY-P1778, HPV16 E7 (86-93), H-Thr-Leu-Gly-Ile-Val-Cys-Pro-Ile-OH, HPV16 E7 (86-93) (TFA)
| Molecular Formula | C37H66N8O10S |
| Molecular Weight | 814.4623 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 279.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Exact Mass | 814.4623 Da |
| Heavy Atoms | 56 |
| Complexity | 1380.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)N |
| InChIKey | CEZGUHHOZXJLRF-ZWPFISNSSA-N |
The XLogP value of -1.1 indicates that H-Thr-Leu-Gly-Ile-Val-Cys-Pro-Ile-OH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 279.0 Ų indicates high polarity, suggesting H-Thr-Leu-Gly-Ile-Val-Cys-Pro-Ile-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-Thr-Leu-Gly-Ile-Val-Cys-Pro-Ile-OH has 10 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of H-Thr-Leu-Gly-Ile-Val-Cys-Pro-Ile-OH is 160212-93-1.
The molecular formula of H-Thr-Leu-Gly-Ile-Val-Cys-Pro-Ile-OH is C37H66N8O10S.
The molecular weight of H-Thr-Leu-Gly-Ile-Val-Cys-Pro-Ile-OH is 814.4623 g/mol.
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