TL;DR: L-Proline, 1-(1-(N-(N-L-valyl-L-histidyl)-L-leucyl)-L-prolyl)- (CAS 121305-24-6) is a chemical compound with molecular formula C27H43N7O6 and molecular weight 561.32745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Also Known As: L-Proline, 1-(1-(N-(N-L-valyl-L-histidyl)-L-leucyl)-L-prolyl)-, 1-(1-(N-(N-L-Valyl-L-histidyl)-L-leucyl)-L-prolyl)-L-proline, J3.278.009A, L-Valyl-L-histidyl-L-leucyl-L-prolyl-L-proline, (2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
| Molecular Formula | C27H43N7O6 |
| Molecular Weight | 561.32745 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 561.32745 Da |
| Heavy Atoms | 40 |
| Complexity | 944.0 |
| SMILES | CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](C(C)C)N |
| InChIKey | IUHQCDZLRCFCJM-YFNVTMOMSA-N |
The XLogP value of -1.4 indicates that L-Proline, 1-(1-(N-(N-L-valyl-L-histidyl)-L-leucyl)-L-prolyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting L-Proline, 1-(1-(N-(N-L-valyl-L-histidyl)-L-leucyl)-L-prolyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Proline, 1-(1-(N-(N-L-valyl-L-histidyl)-L-leucyl)-L-prolyl)- has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of L-Proline, 1-(1-(N-(N-L-valyl-L-histidyl)-L-leucyl)-L-prolyl)- is 121305-24-6.
The molecular formula of L-Proline, 1-(1-(N-(N-L-valyl-L-histidyl)-L-leucyl)-L-prolyl)- is C27H43N7O6.
The molecular weight of L-Proline, 1-(1-(N-(N-L-valyl-L-histidyl)-L-leucyl)-L-prolyl)- is 561.32745 g/mol.
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