TL;DR: tert-Butyloxycarbonyl-prolyl-dehydroleucyl-glycyl-ethylamide (CAS 125768-10-7) is a chemical compound with molecular formula C20H34N4O5 and molecular weight 410.25293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (2S)-2-[[(Z)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopent-2-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Also Known As: Boc-pro-dleu-gly-nhet, tert-Butyloxycarbonyl-prolyl-dehydroleucyl-glycyl-ethylamide, tert-butyl (2S)-2-[[(Z)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopent-2-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate
| Molecular Formula | C20H34N4O5 |
| Molecular Weight | 410.25293 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.25293 Da |
| Heavy Atoms | 29 |
| Complexity | 652.0 |
| SMILES | CCNC(=O)CNC(=O)/C(=C/C(C)C)/NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C |
| InChIKey | UEYXQTJVUCHDLU-SZGZABIGSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyloxycarbonyl-prolyl-dehydroleucyl-glycyl-ethylamide. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyloxycarbonyl-prolyl-dehydroleucyl-glycyl-ethylamide. Following Lipinski's Rule of Five, tert-Butyloxycarbonyl-prolyl-dehydroleucyl-glycyl-ethylamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of tert-Butyloxycarbonyl-prolyl-dehydroleucyl-glycyl-ethylamide is 125768-10-7.
The molecular formula of tert-Butyloxycarbonyl-prolyl-dehydroleucyl-glycyl-ethylamide is C20H34N4O5.
The molecular weight of tert-Butyloxycarbonyl-prolyl-dehydroleucyl-glycyl-ethylamide is 410.25293 g/mol.
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