| CAS Number | 198544-60-4 |
| Catalog Number | AG00I3NP(AGN-PC-0QPYIC) |
| Chemical Name | Carbamic acid, [(1R)-1-(chlorocarbonyl)-3-methylbutyl]-,9H-fluoren-9-ylmethyl ester |
| IUPAC Name | 9H-fluoren-9-ylmethyl N-[(2R)-1-chloro-4-methyl-1-oxopentan-2-yl]carbamate |
| InChI | InChI=1S/C21H22ClNO3/c1-13(2)11-19(20(22)24)23-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,23,25)/t19-/m1/s1 |
| InChI Key | IAWFVICGSTUKMS-LJQANCHMSA-N |
| MDL Number | MFCD00235819 |
| Molecular Formula | C21H22ClNO3 |
| Molecular Weight | 371.8573 |
| SMILES | O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)N[C@H](CC(C)C)C(Cl)=O |
| Synonyms | Fmoc-D-leu-cl,
198544-60-4,
Fmoc-D-leucyl chloride,
(R)-(9H-Fluoren-9-yl)methyl (1-chloro-4-methyl-1-oxopentan-2-yl)carbamate,
ZINC2559975,
MFCD00235819,
AKOS026671249,
N-(9H-Fluorene-9-ylmethoxycarbonyl)-D-leucine chloride,
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| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.861g/mol |
| Monoisotopic Mass | 371.129g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number