TL;DR: L-Prolinamide, N-((hexahydro-3-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate (CAS 128056-15-5) is a chemical compound with molecular formula C17H23N7O5 and molecular weight 405.17606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
Also Known As: L-Prolinamide, N-((hexahydro-3-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate, N-[(4S)-3-Methyl-2,6-dioxo-1,3-diazinane-4-carbonyl]-L-histidyl-L-prolinamide, (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
| Molecular Formula | C17H23N7O5 |
| Molecular Weight | 405.17606 g/mol |
| XLogP | -3.0 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.17606 Da |
| Heavy Atoms | 29 |
| Complexity | 714.0 |
| SMILES | CN1[C@@H](CC(=O)NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N |
| InChIKey | OANIJWQNWHMDMC-SRVKXCTJSA-N |
The XLogP value of -3.0 indicates that L-Prolinamide, N-((hexahydro-3-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting L-Prolinamide, N-((hexahydro-3-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Prolinamide, N-((hexahydro-3-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of L-Prolinamide, N-((hexahydro-3-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate is 128056-15-5.
The molecular formula of L-Prolinamide, N-((hexahydro-3-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate is C17H23N7O5.
The molecular weight of L-Prolinamide, N-((hexahydro-3-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate is 405.17606 g/mol.
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