TL;DR: DU 1777 (CAS 116662-73-8) is a chemical compound with molecular formula C26H37N5O7 and molecular weight 531.2693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-6-amino-2-(pyridine-3-carbonylamino)hexanoyl]amino]-4-carboxybutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Also Known As: DU 1777, 1-(N2-Nicotinoyl-L-lysyl-gamma-D-glutamyl)octahydro-1H-indole-2-carboxylic acid, 5-(2-Carboxyoctahydro-1H-indol-1-yl)-5-oxo-N-(N2-(3-pyridinylcarbonyl)-L-lysyl)-D-norvaline (2S-(2alpha,3abeta,7abeta))-, D-Norvaline, 5-(2-carboxyoctahydro-1H-indol-1-yl)-5-oxo-N-(N2-(3-pyridinylcarbonyl)-L-lysyl)-, (2S-(2alpha,3abeta,7abeta))-, (2S,3aS,7aS)-1-(N2-nicotinoyl-L-lysyl-
| Molecular Formula | C26H37N5O7 |
| Molecular Weight | 531.2693 g/mol |
| XLogP | -1.8 |
| Topological Polar Surface Area (TPSA) | 192.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 531.2693 Da |
| Heavy Atoms | 38 |
| Complexity | 869.0 |
| SMILES | C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)C3=CN=CC=C3)C(=O)O |
| InChIKey | NDXIQTFRXMWLEQ-RQUKQETFSA-N |
The XLogP value of -1.8 indicates that DU 1777 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 192.0 Ų indicates high polarity, suggesting DU 1777 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DU 1777 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of DU 1777 is 116662-73-8.
The molecular formula of DU 1777 is C26H37N5O7.
The molecular weight of DU 1777 is 531.2693 g/mol.
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