| CAS Number | 185031-81-6 |
| Catalog Number | AG00ACQY(AGN-PC-0O5CUL) |
| Chemical Name | Fmoc-Gln(Xan)-OH |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(9H-xanthen-9-ylamino)pentanoic acid |
| InChI | InChI=1S/C33H28N2O6/c36-30(35-31-24-13-5-7-15-28(24)41-29-16-8-6-14-25(29)31)18-17-27(32(37)38)34-33(39)40-19-26-22-11-3-1-9-20(22)21-10-2-4-12-23(21)26/h1-16,26-27,31H,17-19H2,(H,34,39)(H,35,36)(H,37,38)/t27-/m0/s1 |
| InChI Key | DQGRFJKGDGJKFV-MHZLTWQESA-N |
| MDL Number | MFCD01076141 |
| Molecular Formula | C33H28N2O6 |
| Molecular Weight | 548.5852 |
| SMILES | OC(=O)[C@H](CCC(=O)NC1C2=CC=CC=C2OC2=C1C=CC=C2)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2 |
| Synonyms | Fmoc-Gln(Xan)-OH,
185031-81-6,
Fmoc-Ndelta-xanthyl-L-glutamine,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-((9H-xanthen-9-yl)amino)-5-oxopentanoic acid,
n-alfa-fmoc-n--xanthyl-l-glutamine,
ZINC2572686,
6884AH,
MFCD01076141,
AS-49108,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-gamma-xantyl-L-glutamine,
C33H28N2O6,
|
| Complexity | 899 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 548.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 548.595g/mol |
| Monoisotopic Mass | 548.195g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
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Certificate of Analysis
Lot Number