| CAS Number | 1263045-85-7 |
| Catalog Number | AG009DOG(AGN-PC-0WBO9C) |
| Chemical Name | 2-[1-(4,4-Dimethyl-2,6-dioxo-cyclohexylidene)-ethylamino]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-butyric acid |
| IUPAC Name | (2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]butanoic acid |
| InChI | InChI=1S/C29H32N2O6/c1-17(26-24(32)14-29(2,3)15-25(26)33)31-23(27(34)35)12-13-30-28(36)37-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,22-23,32H,12-16H2,1-3H3,(H,30,36)(H,34,35)/t23-/m0/s1 |
| InChI Key | BGQZWPYGWVUUEH-QHCPKHFHSA-N |
| MDL Number | MFCD05663743 |
| Molecular Formula | C29H32N2O6 |
| Molecular Weight | 504.5742 |
| SMILES | O=C(O)[C@@H](N/C(C)=C4C(CC(C)(C)CC4=O)=O)CCNC(OCC2C1=C(C3=C2C=CC=C3)C=CC=C1)=O |
| Synonyms | Dde-Dab(Fmoc)-OH,
1263045-85-7,
(S)-4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)butanoic acid,
DDE-L-DAB(FMOC)-OH,
MFCD05663743,
AKOS030212364,
ZINC104840840,
N-alpha-(4,4-Dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-N-gamma-(9-fluorenylmethyloxycarbonyl)-L-2,4-diaminobutyric acid,
|
| Complexity | 932 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 504.226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 504.583g/mol |
| Monoisotopic Mass | 504.226g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number