TL;DR: L-Phenylalanine, N-(N-(N-(N,O-bis(1,1-dimethylethoxy)carbonyl)-L-tyrosyl)-D-alanylglycyl)- (CAS 145594-19-0) is a chemical compound with molecular formula C33H44N4O10 and molecular weight 656.3057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[2-[[(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
Also Known As: L-Phenylalanine, N-(N-(N-(N,O-bis(1,1-dimethylethoxy)carbonyl)-L-tyrosyl)-D-alanylglycyl)-, N-tert-Butoxycarbonyltyrosyl-(O-tert-butoxycarbonyl)-D-alanylglycylphenylalanine, N-(N-(N-(N,O-Bis(1,1-dimethylethoxy)carbonyl)-L-tyrosyl)-D-alanylglycyl)-L-phenylalanine, N,O-Bis(tert-butoxycarbonyl)-L-tyrosyl-D-alanylglycyl-L-phenylalanine, (2S)-2-[[2-[[(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
| Molecular Formula | C33H44N4O10 |
| Molecular Weight | 656.3057 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 198.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 656.3057 Da |
| Heavy Atoms | 47 |
| Complexity | 1090.0 |
| SMILES | C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C |
| InChIKey | JXWNQJZNDGYPAD-YNJKOYDBSA-N |
The XLogP value of 3.4 indicates that L-Phenylalanine, N-(N-(N-(N,O-bis(1,1-dimethylethoxy)carbonyl)-L-tyrosyl)-D-alanylglycyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting L-Phenylalanine, N-(N-(N-(N,O-bis(1,1-dimethylethoxy)carbonyl)-L-tyrosyl)-D-alanylglycyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Phenylalanine, N-(N-(N-(N,O-bis(1,1-dimethylethoxy)carbonyl)-L-tyrosyl)-D-alanylglycyl)- has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-Phenylalanine, N-(N-(N-(N,O-bis(1,1-dimethylethoxy)carbonyl)-L-tyrosyl)-D-alanylglycyl)- is 145594-19-0.
The molecular formula of L-Phenylalanine, N-(N-(N-(N,O-bis(1,1-dimethylethoxy)carbonyl)-L-tyrosyl)-D-alanylglycyl)- is C33H44N4O10.
The molecular weight of L-Phenylalanine, N-(N-(N-(N,O-bis(1,1-dimethylethoxy)carbonyl)-L-tyrosyl)-D-alanylglycyl)- is 656.3057 g/mol.
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