| CAS Number | 244132-29-4 |
| Catalog Number | AG01FHH4(AGN-PC-0O86I9) |
| Chemical Name | (2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methanesulfonylpropanoic acid |
| IUPAC Name | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylsulfonylpropanoic acid |
| InChI | InChI=1S/C19H19NO6S/c1-27(24,25)11-17(18(21)22)20-19(23)26-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,20,23)(H,21,22)/t17-/m0/s1 |
| InChI Key | SGRFSKFFNRFQMF-KRWDZBQOSA-N |
| MDL Number | MFCD30595177 |
| Molecular Formula | C19H19NO6S |
| Molecular Weight | 389.4223 |
| SMILES | CS(C[C@@H](C(O)=O)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)(=O)=O |
| Synonyms | 244132-29-4,
SCHEMBL7713104,
CTK0J4920,
DTXSID90595834,
L-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(methylsulfonyl)-,
N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-3-(methanesulfonyl)-L-alanine,
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| Complexity | 636 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.422g/mol |
| Monoisotopic Mass | 389.093g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number