TL;DR: Phthaloyl-glycyl(P)-isoleucyl-tryptophyl-benzylamide (CAS 125009-80-5) is a chemical compound with molecular formula C40H42N5O6P and molecular weight 719.2873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-N-[(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoyl]-2-[[(1,3-dioxoisoindol-2-yl)methyl-phenylmethoxyphosphoryl]amino]-3-methylpentanamide
Also Known As: PGITN, Phthaloyl-gly(P)-ile-trp-nhbzl, PP607, PP 607, Phthaloyl-glycyl(P)-isoleucyl-tryptophyl-benzylamide
| Molecular Formula | C40H42N5O6P |
| Molecular Weight | 719.2873 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 719.2873 Da |
| Heavy Atoms | 52 |
| Complexity | 1260.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NCC3=CC=CC=C3)NP(=O)(CN4C(=O)C5=CC=CC=C5C4=O)OCC6=CC=CC=C6 |
| InChIKey | ZGCBYAKELITSTA-NHQNABIISA-N |
The XLogP value of 5.5 indicates that Phthaloyl-glycyl(P)-isoleucyl-tryptophyl-benzylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting Phthaloyl-glycyl(P)-isoleucyl-tryptophyl-benzylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phthaloyl-glycyl(P)-isoleucyl-tryptophyl-benzylamide has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phthaloyl-glycyl(P)-isoleucyl-tryptophyl-benzylamide is 125009-80-5.
The molecular formula of Phthaloyl-glycyl(P)-isoleucyl-tryptophyl-benzylamide is C40H42N5O6P.
The molecular weight of Phthaloyl-glycyl(P)-isoleucyl-tryptophyl-benzylamide is 719.2873 g/mol.
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