| ID | 1785 |
| Name | CID6538738 |
| Pubchem ID | 6538738 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | No |
| Molecular Weight | 745.91 |
| Exact mass | 745.383934 |
| Molecular formula | C44H51N5O6 |
| XlogP | 5.6 |
| Topological Polar Surface Area | 152 |
| H-Bond Donor | 6 |
| H-Bond Acceptor | 7 |
| Rotational Bond Count | 14 |
| IUPAC Name | N-[(2S)-1-[[(2S,3R,4R)-3-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1H-isoquinoline-2-carboxamide |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(C(=O)NC2C(CC3=CC=CC=C23)O)NCC4=CC=C(C=C4)OC)O)NC(=O)N5CC6=CC=CC=C6C=C5 |
| Isomeric SMILE | CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H](C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)NCC4=CC=C(C=C4)OC)O)NC(=O)N5CC6=CC=CC=C6C=C5 |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |