TL;DR: Cyclo(phenylalanyl-prolyl-glycyl-prolyl)2 (CAS 136314-94-8) is a chemical compound with molecular formula C42H52N8O8 and molecular weight 796.3908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]-N-[2-[(2S)-2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-2,3-dihydropyrrole-2-carboxamide
Also Known As: Cyclo(phe-pro-gly-pro)2, Cyclo(phenylalanyl-prolyl-glycyl-prolyl)2, cyclo(L-Phe-L-Pro-Gly-L-Pro)2, (2S)-1-[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]-N-[2-[(2S)-2-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-2,3-dihydropyrrole-2-carboxamide, Cyclo(glycyl-L-prolyl-L-phenylalanyl-L-prolylglycyl-L-prolyl-L-phenylalanyl-L-prolyl)
| Molecular Formula | C42H52N8O8 |
| Molecular Weight | 796.3908 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 212.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 796.3908 Da |
| Heavy Atoms | 58 |
| Complexity | 1560.0 |
| SMILES | C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@@H]4CC=CN4C(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCCN6C(=O)CN)C=O |
| InChIKey | IKHNEMCWNPHENE-LBBUGJAGSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclo(phenylalanyl-prolyl-glycyl-prolyl)2. The TPSA of 212.0 Ų indicates high polarity, suggesting Cyclo(phenylalanyl-prolyl-glycyl-prolyl)2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclo(phenylalanyl-prolyl-glycyl-prolyl)2 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cyclo(phenylalanyl-prolyl-glycyl-prolyl)2 is 136314-94-8.
The molecular formula of Cyclo(phenylalanyl-prolyl-glycyl-prolyl)2 is C42H52N8O8.
The molecular weight of Cyclo(phenylalanyl-prolyl-glycyl-prolyl)2 is 796.3908 g/mol.
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