| CAS Number | 1819986-22-5 |
| Catalog Number | AG00ABRW |
| Chemical Name | amyloid P-IN-1 |
| IUPAC Name | oxan-4-yloxycarbonyloxymethyl (2R)-1-[6-[(2R)-2-(oxan-4-yloxycarbonyloxymethoxycarbonyl)pyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate |
| InChI | InChI=1S/C30H44N2O14/c33-25(31-13-3-5-23(31)27(35)41-19-43-29(37)45-21-9-15-39-16-10-21)7-1-2-8-26(34)32-14-4-6-24(32)28(36)42-20-44-30(38)46-22-11-17-40-18-12-22/h21-24H,1-20H2/t23-,24-/m1/s1 |
| InChI Key | KSKLDMGKWDUQCT-DNQXCXABSA-N |
| MDL Number | MFCD30489728 |
| Molecular Formula | C30H44N2O14 |
| Molecular Weight | 656.6754 |
| SMILES | [C@H]1(C(=O)OCOC(OC2CCOCC2)=O)CCCN1C(=O)CCCCC(=O)N1[C@@H](C(=O)OCOC(OC2CCOCC2)=O)CCC1 |
| Synonyms | amyloid P-IN-1,
1819986-22-5,
SCHEMBL17223624,
AKOS032945090,
CS-5916,
HY-19771,
|
| Complexity | 976 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 656.279g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 656.682g/mol |
| Monoisotopic Mass | 656.279g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 183A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number