| CAS Number | 133407-83-7 |
| Catalog Number | AG0080HX(AGN-PC-0PJZG6) |
| Chemical Name | γ-Secretase Inhibitor I |
| IUPAC Name | benzyl N-[4-methyl-1-[[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate |
| InChI | InChI=1S/C26H41N3O5/c1-6-7-13-21(16-30)27-24(31)22(14-18(2)3)28-25(32)23(15-19(4)5)29-26(33)34-17-20-11-9-8-10-12-20/h8-12,16,18-19,21-23H,6-7,13-15,17H2,1-5H3,(H,27,31)(H,28,32)(H,29,33) |
| InChI Key | RNPDUXVFGTULLP-UHFFFAOYSA-N |
| MDL Number | MFCD02179375 |
| Molecular Formula | C26H41N3O5 |
| Molecular Weight | 475.6208 |
| SMILES | O=C(N[C@@H](CC(C)C)C(N[C@@H](CCCC)C=O)=O)[C@H](CC(C)C)NC(OCC1=CC=CC=C1)=O |
| Synonyms | 133407-83-7,
Z-Leu-Leu-Nle-aldehyde,
gamma-Secretase Inhibitor I,
SCHEMBL5065186,
CTK8E7628,
DTXSID60617658,
IN1097,
RT-013159,
J-006369,
N-[(Benzyloxy)carbonyl]leucyl-N-(1-oxohexan-2-yl)leucinamide,
?-Secretase Inhibitor I,
|A-Secretase Inhibitor I,
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| Complexity | 632 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 475.305g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 475.63g/mol |
| Monoisotopic Mass | 475.305g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number