| CAS Number | 2010159-48-3 |
| Catalog Number | AG01ENXI(AGN-PC-3H464I) |
| Chemical Name | MZP-55 |
| IUPAC Name | 1-[2-[[2-[2-[2-[2-[2-[[4-[1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide |
| InChI | InChI=1S/C57H70ClN7O10S/c1-36-29-48(62-45-18-16-44(58)17-19-45)47-30-43(15-20-49(47)65(36)38(3)66)40-11-13-42(14-12-40)54(69)59-21-22-72-23-24-73-25-26-74-27-28-75-34-51(68)63-53(57(4,5)6)56(71)64-33-46(67)31-50(64)55(70)60-32-39-7-9-41(10-8-39)52-37(2)61-35-76-52/h7-20,30,35-36,46,48,50,53,62,67H,21-29,31-34H2,1-6H3,(H,59,69)(H,60,70)(H,63,68) |
| InChI Key | UHWNJFZTYJNBAN-UHFFFAOYSA-N |
| MDL Number | MFCD31807305 |
| Molecular Formula | C57H70ClN7O10S |
| Molecular Weight | 1080.7246 |
| SMILES | C1(CNC([C@H]2N(C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCOCCNC(=O)C3C=CC(=CC=3)C3=CC4[C@@H](C[C@H](C)N(C(=O)C)C=4C=C3)NC3C=CC(Cl)=CC=3)C[C@H](O)C2)=O)C=CC(C2SC=NC=2C)=CC=1 |
| Synonyms | |
| Complexity | 1840 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1079.459g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 76 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1080.736g/mol |
| Monoisotopic Mass | 1079.459g/mol |
| Rotatable Bond Count | 25 |
| Topological Polar Surface Area | 238A^2 |
| Undefined Atom Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number