TL;DR: Cbz-Tyr-Val-Sta-Ala-Sta-NH2 (CAS 145031-45-4) is a chemical compound with molecular formula C41H62N6O10 and molecular weight 798.45276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1-[[(3S,4S)-1-amino-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
Also Known As: Cbz-Tyr-Val-Sta-Ala-Sta-NH2, L-Valinamide, N-((phenylmethoxy)carbonyl)-L-tyrosyl-N-(4-((2-((4-amino-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)amino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, stereoisomer, Pepstatin A, 1-(N-((phenylmethoxy)carbonyl)-L-tyrosine)-5-((3S,4S)-3-hydroxy-6-methyl-4-aminoheptanamide)-, benzyl N-[(1S)-2-[[(1S)-1-[[(1S,2S)-4-[[(1S)-2-[[(1S,2S)-4-amino-2-hydroxy-1-isobutyl-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-hydroxy-1-isobutyl-4-oxo-butyl]carbamoyl]-2-methyl-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamate, benzyl N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1-[[(3S,4S)-1-amino-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
| Molecular Formula | C41H62N6O10 |
| Molecular Weight | 798.45276 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 259.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 24 |
| Exact Mass | 798.45276 Da |
| Heavy Atoms | 57 |
| Complexity | 1280.0 |
| SMILES | C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N)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 | BROZGFRIKIALBJ-MSQJMBMRSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cbz-Tyr-Val-Sta-Ala-Sta-NH2. The TPSA of 259.0 Ų indicates high polarity, suggesting Cbz-Tyr-Val-Sta-Ala-Sta-NH2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cbz-Tyr-Val-Sta-Ala-Sta-NH2 has 9 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cbz-Tyr-Val-Sta-Ala-Sta-NH2 is 145031-45-4.
The molecular formula of Cbz-Tyr-Val-Sta-Ala-Sta-NH2 is C41H62N6O10.
The molecular weight of Cbz-Tyr-Val-Sta-Ala-Sta-NH2 is 798.45276 g/mol.
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