TL;DR: H-Lys-Ala-Val-Tyr-Asn-Phe-Ala-Thr-Cys-OH (CAS 161928-86-5) is a chemical compound with molecular formula C46H69N11O13S and molecular weight 1015.4797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoic acid
Also Known As: GP(33-41) (TFA), GP(33-41), GP (33-41), H-Lys-Ala-Val-Tyr-Asn-Phe-Ala-Thr-Cys-OH, J1.676.627E
| Molecular Formula | C46H69N11O13S |
| Molecular Weight | 1015.4797 g/mol |
| XLogP | -3.7 |
| Topological Polar Surface Area (TPSA) | 407.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 30 |
| Exact Mass | 1015.4797 Da |
| Heavy Atoms | 71 |
| Complexity | 1820.0 |
| SMILES | C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)N)O |
| InChIKey | OTXDHMGAEPLIQZ-ZVGUPDCISA-N |
The XLogP value of -3.7 indicates that H-Lys-Ala-Val-Tyr-Asn-Phe-Ala-Thr-Cys-OH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 407.0 Ų indicates high polarity, suggesting H-Lys-Ala-Val-Tyr-Asn-Phe-Ala-Thr-Cys-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-Lys-Ala-Val-Tyr-Asn-Phe-Ala-Thr-Cys-OH has 15 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of H-Lys-Ala-Val-Tyr-Asn-Phe-Ala-Thr-Cys-OH is 161928-86-5.
The molecular formula of H-Lys-Ala-Val-Tyr-Asn-Phe-Ala-Thr-Cys-OH is C46H69N11O13S.
The molecular weight of H-Lys-Ala-Val-Tyr-Asn-Phe-Ala-Thr-Cys-OH is 1015.4797 g/mol.
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