| CAS Number | 149385-65-9 |
| Catalog Number | AG00AP8O(AGN-PC-0O3WK4) |
| Chemical Name | β-Amyloid (31-35) |
| IUPAC Name | (2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid |
| InChI | InChI=1S/C25H47N5O6S/c1-8-15(5)20(26)23(33)30-21(16(6)9-2)24(34)27-13-19(31)28-18(12-14(3)4)22(32)29-17(25(35)36)10-11-37-7/h14-18,20-21H,8-13,26H2,1-7H3,(H,27,34)(H,28,31)(H,29,32)(H,30,33)(H,35,36)/t15-,16-,17-,18-,20-,21-/m0/s1 |
| InChI Key | ZMDGLWRNBGRYQB-ZKHIMWLXSA-N |
| MDL Number | MFCD06659094 |
| Molecular Formula | C25H47N5O6S |
| Molecular Weight | 545.7356 |
| SMILES | C(N[C@@H]([C@@H](C)CC)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CCSC)C(O)=O)=O)=O)=O)([C@H]([C@@H](C)CC)N)=O |
| Synonyms | Amyloid b-Protein (31-35),
149385-65-9,
H-ILE-ILE-GLY-LEU-MET-OH,
CHEMBL272776,
HY-P1517,
MFCD06659094,
CS-0044618,
385H659,
|A-Amyloid (31-35),
ZMDGLWRNBGRYQB-ZKHIMWLXSA-N,
CID 4413247,
CID10816380,
|
| Complexity | 766 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 545.325g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 545.74g/mol |
| Monoisotopic Mass | 545.325g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 205A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number