TL;DR: Cbz-Tyr-Val-(Tyr)Sta-Ala-Sta-OMe (CAS 145031-51-2) is a chemical compound with molecular formula C45H61N5O12 and molecular weight 863.4317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (3S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-5-(4-hydroxyphenyl)-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]propanoyl]amino]-6-methylheptanoate
Also Known As: Cbz-Tyr-Val-(Tyr)Sta-Ala-Sta-OMe, Cbz-Tyr-Val-{Tyr}Sta-Ala-Sta-OMe, L-threo-Pentonamide, 2,4,5-trideoxy-N-(2-((2-hydroxy-4-methoxy-1-(2-methylpropyl)-4-oxobutyl)amino)-1-methyl-2-oxoethyl)-4-C-(4-hydroxyphenyl)-4-((N-(N-((phenylmethoxy)carbonyl)-L-tyrosyl)-L-valyl)amino)-, (1S-(1R*(R*),2R*))-, Pepstatin A, 1-(N-((phenylmethoxy)carbonyl)-L-tyrosine)-3-(4-amino-2,4,5-trideoxy-4-C-(4-hydroxyphenyl)-L-threo-pentonic acid)-, methyl ester, L-threo-Pentonamide, 2,4,5-trideoxy-N-[2-[[2-hydroxy-4-methoxy-1-(2-methylpropyl)-4-oxobutyl]amino]-1-methyl-2-oxoethyl]-4-C-(4-hydroxyphenyl)-4-[[N-[N-[(phenylmethoxy)carbonyl]-L-tyrosyl]-L-valyl]amino]-, [1S-[1R*(R*),2R*]]-
| Molecular Formula | C45H61N5O12 |
| Molecular Weight | 863.4317 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 262.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 25 |
| Exact Mass | 863.4317 Da |
| Heavy Atoms | 62 |
| Complexity | 1410.0 |
| SMILES | C[C@@H](C(=O)NC(CC(C)C)[C@H](CC(=O)OC)O)NC(=O)C[C@@H]([C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3)O |
| InChIKey | TYCRLOOVFOQWTA-VMDKVOEYSA-N |
The XLogP value of 4.1 indicates that Cbz-Tyr-Val-(Tyr)Sta-Ala-Sta-OMe is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 262.0 Ų indicates high polarity, suggesting Cbz-Tyr-Val-(Tyr)Sta-Ala-Sta-OMe may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cbz-Tyr-Val-(Tyr)Sta-Ala-Sta-OMe has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cbz-Tyr-Val-(Tyr)Sta-Ala-Sta-OMe is 145031-51-2.
The molecular formula of Cbz-Tyr-Val-(Tyr)Sta-Ala-Sta-OMe is C45H61N5O12.
The molecular weight of Cbz-Tyr-Val-(Tyr)Sta-Ala-Sta-OMe is 863.4317 g/mol.
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