| CAS Number | 185031-78-1 |
| Catalog Number | AG00ACQU(AGN-PC-0QDWDG) |
| Chemical Name | Fmoc-L-Asn(Xan)-OH |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid |
| InChI | InChI=1S/C32H26N2O6/c35-29(34-30-23-13-5-7-15-27(23)40-28-16-8-6-14-24(28)30)17-26(31(36)37)33-32(38)39-18-25-21-11-3-1-9-19(21)20-10-2-4-12-22(20)25/h1-16,25-26,30H,17-18H2,(H,33,38)(H,34,35)(H,36,37)/t26-/m0/s1 |
| InChI Key | BHSJDYJRHPNVAM-SANMLTNESA-N |
| MDL Number | MFCD07366857 |
| Molecular Formula | C32H26N2O6 |
| Molecular Weight | 534.5586 |
| SMILES | OC(=O)[C@H](CC(=O)NC1C2=CC=CC=C2OC2=C1C=CC=C2)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2 |
| Synonyms | Fmoc-Asn(Xan)-OH,
185031-78-1,
C32H26N2O6,
FMOC-L-ASN(XAN)-OH,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((9H-xanthen-9-yl)amino)-4-oxobutanoic acid,
AKOS027250984,
ZINC100070011,
n-alfa-fmoc-n-gamma-xanthyl-l-asparagine,
AS-48975,
X5747,
N-alpha-(9-Fluorenylmethoxycarbonyl)-N-beta-xanthyl-L-asparagine,
|
| Complexity | 883 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 534.179087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 534.6g/mol |
| Monoisotopic Mass | 534.179087g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 114Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number