TL;DR: Cbz-Tyr-Val-Sta-Ala-Sta-OH (CAS 135467-17-3) is a chemical compound with molecular formula C41H61N5O11 and molecular weight 799.43677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-6-methylheptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
Also Known As: Cbz-Tyr-Val-Sta-Ala-Sta-OH, Pepstatin A, 1-(N-((phenylmethoxy)carbonyl)-L-tyrosine)-, Pepstatin A, 1-[N-[(phenylmethoxy)carbonyl]-L-tyrosine]-, L-Valinamide, N-((phenylmethoxy)carbonyl)-L-tyrosyl-N-(4-((2-((1-(2-carboxy-1-hydroxyethyl)-3-methylbutyl)amino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*(R*(R*)))))-, (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-6-methylheptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
| Molecular Formula | C41H61N5O11 |
| Molecular Weight | 799.43677 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 253.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 24 |
| Exact Mass | 799.43677 Da |
| Heavy Atoms | 57 |
| Complexity | 1280.0 |
| SMILES | C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2)O |
| InChIKey | ADXHQLZNZBMXKP-MSQJMBMRSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cbz-Tyr-Val-Sta-Ala-Sta-OH. The TPSA of 253.0 Ų indicates high polarity, suggesting Cbz-Tyr-Val-Sta-Ala-Sta-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cbz-Tyr-Val-Sta-Ala-Sta-OH has 9 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cbz-Tyr-Val-Sta-Ala-Sta-OH is 135467-17-3.
The molecular formula of Cbz-Tyr-Val-Sta-Ala-Sta-OH is C41H61N5O11.
The molecular weight of Cbz-Tyr-Val-Sta-Ala-Sta-OH is 799.43677 g/mol.
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