TL;DR: H-Val-Ser-Gln-Asn-Sta-Ile-Val-OH (CAS 124020-60-6) is a chemical compound with molecular formula C36H65N9O12 and molecular weight 815.4753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S,3S)-2-[[(3S,4S)-4-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
Also Known As: H-Val-Ser-Gln-Asn-Sta-Ile-Val-OH, U-85549E, (S)-2-((2S,3S)-2-((3S,4S)-4-((S)-2-((S)-2-((S)-2-((S)-2-Amino-3-methyl-butanoylamino)-3-hydroxypropanoylamino)-4-carbamoylbutanoylamino)-3-carbamoylpropanoylamino)-3-hydroxy-6-methyl-heptanoylamino)-3-methyl-pentanoylamino)-3-methyl-butyric acid, (2S)-2-[[(2S,3S)-2-[[(3S,4S)-4-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid, (2S)-2-[[(2S,3S)-2-[[(3S,4S)-4-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
| Molecular Formula | C36H65N9O12 |
| Molecular Weight | 815.4753 g/mol |
| XLogP | -4.4 |
| Topological Polar Surface Area (TPSA) | 365.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 27 |
| Exact Mass | 815.4753 Da |
| Heavy Atoms | 57 |
| Complexity | 1410.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N)O |
| InChIKey | FLWKEOUQUFIEEX-RBXVSGTMSA-N |
The XLogP value of -4.4 indicates that H-Val-Ser-Gln-Asn-Sta-Ile-Val-OH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 365.0 Ų indicates high polarity, suggesting H-Val-Ser-Gln-Asn-Sta-Ile-Val-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-Val-Ser-Gln-Asn-Sta-Ile-Val-OH has 12 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of H-Val-Ser-Gln-Asn-Sta-Ile-Val-OH is 124020-60-6.
The molecular formula of H-Val-Ser-Gln-Asn-Sta-Ile-Val-OH is C36H65N9O12.
The molecular weight of H-Val-Ser-Gln-Asn-Sta-Ile-Val-OH is 815.4753 g/mol.
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