TL;DR: Z-Cys-ala-pro-his-ome (CAS 162334-97-6) is a chemical compound with molecular formula C26H35ClN6O7S and molecular weight 610.19763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoate;hydrochloride
Also Known As: Z-Caph-ome, Z-Cys-ala-pro-his-ome, Benzyloxycarbonyl-cysteinyl-alanyl-prolyl-histidine methyl ester, L-Histidine, N-(1-(N-(N-((phenylmethoxy)carbonyl)-L-cysteinyl)-L-alanyl)-L-prolyl)-, methyl ester, monohydrochloride, methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoate;hydrochloride
| Molecular Formula | C26H35ClN6O7S |
| Molecular Weight | 610.19763 g/mol |
| XLogP | 0.7523 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 610.19763 Da |
| Heavy Atoms | 41 |
| Complexity | 903.0 |
| SMILES | C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CN=CN2)C(=O)OC)NC(=O)[C@H](CS)NC(=O)OCC3=CC=CC=C3.Cl |
| InChIKey | PXIFXVLQXXWYFN-SPKBWDRKSA-N |
The XLogP value of 0.7523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Z-Cys-ala-pro-his-ome. The TPSA of 173.0 Ų indicates high polarity, suggesting Z-Cys-ala-pro-his-ome may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Z-Cys-ala-pro-his-ome has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Z-Cys-ala-pro-his-ome is 162334-97-6.
The molecular formula of Z-Cys-ala-pro-his-ome is C26H35ClN6O7S.
The molecular weight of Z-Cys-ala-pro-his-ome is 610.19763 g/mol.
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