TL;DR: Cbz-Trp-Val-Sta-Ala-Sta-OH (CAS 145031-47-6) is a chemical compound with molecular formula C43H62N6O10 and molecular weight 822.45276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-6-methylheptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
Also Known As: Cbz-Trp-Val-Sta-Ala-Sta-OH, Pepstatin A, 1-(N-((phenylmethoxy)carbonyl)-L-tryptophan)-, L-Valinamide, N-((phenylmethoxy)carbonyl)-L-tryptophyl-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*)))))-, Pepstatin A, 1-[N-[(phenylmethoxy)carbonyl]-L-tryptophan]-, (3S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-6-methylheptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
| Molecular Formula | C43H62N6O10 |
| Molecular Weight | 822.45276 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 248.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 24 |
| Exact Mass | 822.45276 Da |
| Heavy Atoms | 59 |
| Complexity | 1370.0 |
| SMILES | C[C@@H](C(=O)NC(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=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3)O |
| InChIKey | LGYGHBKRXYHDQJ-PLOKRZIXSA-N |
The XLogP value of 3.7 indicates that Cbz-Trp-Val-Sta-Ala-Sta-OH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 248.0 Ų indicates high polarity, suggesting Cbz-Trp-Val-Sta-Ala-Sta-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cbz-Trp-Val-Sta-Ala-Sta-OH has 9 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cbz-Trp-Val-Sta-Ala-Sta-OH is 145031-47-6.
The molecular formula of Cbz-Trp-Val-Sta-Ala-Sta-OH is C43H62N6O10.
The molecular weight of Cbz-Trp-Val-Sta-Ala-Sta-OH is 822.45276 g/mol.
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