TL;DR: Statine deriv. (CAS 161389-22-6) is a chemical compound with molecular formula C43H51N5O8 and molecular weight 765.3738 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-5-[[(2S,3R,4R)-4-(benzylamino)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
Also Known As: Statine deriv., Statine deriv. 28, Tle-Val-Sta, 5PhBuCOOH deriv., Glu-Val-Sta, 5PhBuCOOH deriv.
| Molecular Formula | C43H51N5O8 |
| Molecular Weight | 765.3738 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 195.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 22 |
| Exact Mass | 765.3738 Da |
| Heavy Atoms | 56 |
| Complexity | 1210.0 |
| SMILES | CC(C)[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC3=CC=CC=C3)O)NCC4=CC=CC=C4 |
| InChIKey | COLMGOIANFAMFH-JWZDELSPSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Statine deriv.. The TPSA of 195.0 Ų indicates high polarity, suggesting Statine deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Statine deriv. has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Statine deriv. is 161389-22-6.
The molecular formula of Statine deriv. is C43H51N5O8.
The molecular weight of Statine deriv. is 765.3738 g/mol.
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