TL;DR: Tyrosyl-cysteinyl(stbu)-glycyl-phenylalanyl-leucyl-threonyl(O-t-butyl) (CAS 131766-24-0) is a chemical compound with molecular formula C41H62N6O9S and molecular weight 814.4299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-tert-butylsulfanylpropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoate
Also Known As: BUBUC, Tyr-cys-(stbu)-gly-phe-leu-thr(otbu), (D-Cys(tBu)2,Thr(tBu)6)-Leu-Enkephalin-Thr, Tyrosyl-cysteinyl(stbu)-glycyl-phenylalanyl-leucyl-threonyl(O-t-butyl), [D-Cys(S-tBu)2,Leu5]enkephalin-Thr(OtBu)
| Molecular Formula | C41H62N6O9S |
| Molecular Weight | 814.4299 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 264.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 23 |
| Exact Mass | 814.4299 Da |
| Heavy Atoms | 57 |
| Complexity | 1320.0 |
| SMILES | C[C@H]([C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](CSC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)O |
| InChIKey | DXMLPUPIEUVWKS-GQAKXHIGSA-N |
The XLogP value of 3.7 indicates that Tyrosyl-cysteinyl(stbu)-glycyl-phenylalanyl-leucyl-threonyl(O-t-butyl) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 264.0 Ų indicates high polarity, suggesting Tyrosyl-cysteinyl(stbu)-glycyl-phenylalanyl-leucyl-threonyl(O-t-butyl) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tyrosyl-cysteinyl(stbu)-glycyl-phenylalanyl-leucyl-threonyl(O-t-butyl) has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tyrosyl-cysteinyl(stbu)-glycyl-phenylalanyl-leucyl-threonyl(O-t-butyl) is 131766-24-0.
The molecular formula of Tyrosyl-cysteinyl(stbu)-glycyl-phenylalanyl-leucyl-threonyl(O-t-butyl) is C41H62N6O9S.
The molecular weight of Tyrosyl-cysteinyl(stbu)-glycyl-phenylalanyl-leucyl-threonyl(O-t-butyl) is 814.4299 g/mol.
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