| Sonrisas canónicas | C1=CC=C(C=C1)CC(C(=O)N(C2=CC=C(C=C2)COC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(CCCCNC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N)NC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79 |
|---|---|
| IUPAC Name | [4-[[(2S)-1-amino-1-oxo-6-(tritylamino)hexan-2-yl]-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate |
| InChIKey | LOGURWMJSNXIEZ-YQOHNZFASA-N |
| INCHI | 1S/C63H57N5O9/c64-59(69)58(31-17-18-40-65-63(46-21-7-2-8-22-46,47-23-9-3-10-24-47)48-25-11-4-12-26-48)67(49-34-32-45(33-35-49)42-76-62(72)77-51-38-36-50(37-39-51)68(73)74)60(70)57(41-44-19-5-1-6-20-44)66-61(71)75-43-56-54-29-15-13-27-52(54)53-28-14-16-30-55(53)56/h1-16,19-30,32-39,56-58,65H,17-18,31,40-43H2,(H2,64,69)(H,66,71)/t57-,58-/m0/s1 |
| PubChem CID | 118798952 |
| Peso molecular | 1028.15 |
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| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 E2428602 | Certificate of Analysis | Jan 15, 2024 | F412486 |
| E2428615 | Certificate of Analysis | Jan 15, 2024 | F412486 |
| E2428616 | Certificate of Analysis | Jan 15, 2024 | F412486 |
| E2428617 | Certificate of Analysis | Jan 15, 2024 | F412486 |
| E2428643 | Certificate of Analysis | Jan 15, 2024 | F412486 |
| E2428644 | Certificate of Analysis | Jan 15, 2024 | F412486 |
| E2428645 | Certificate of Analysis | Jan 15, 2024 | F412486 |
| E2428646 | Certificate of Analysis | Jan 15, 2024 | F412486 |
| E2428647 | Certificate of Analysis | Jan 15, 2024 | F412486 |
| E2428648 | Certificate of Analysis | Jan 15, 2024 | F412486 |
| Solubilidad | Solubility (25°C) In vitro Ethanol: mg/mL |
|---|---|
| Peso molecular | 1028.200 g/mol |
| XLogP3 | 11.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 24 |
| Exact Mass | 1027.42 Da |
| Monoisotopic Mass | 1027.42 Da |
| Topological Polar Surface Area | 195.000 Ų |
| Heavy Atom Count | 77 |
| Formal Charge | 0 |
| Complexity | 1790.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
