| CAS Number | 524698-40-6 |
| Catalog Number | AG006TW2(AGN-PC-0SCRXD) |
| Chemical Name | (S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(7-methoxy-2-oxo-2H-chromen-4-YL)-propionic acid |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(7-methoxy-2-oxochromen-4-yl)propanoic acid |
| InChI | InChI=1S/C28H23NO7/c1-34-17-10-11-18-16(13-26(30)36-25(18)14-17)12-24(27(31)32)29-28(33)35-15-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-11,13-14,23-24H,12,15H2,1H3,(H,29,33)(H,31,32)/t24-/m0/s1 |
| InChI Key | UMTJSVFQWCDZCB-DEOSSOPVSA-N |
| MDL Number | MFCD08702736 |
| Molecular Formula | C28H23NO7 |
| Molecular Weight | 485.4847 |
| SMILES | COc1ccc2c(c1)oc(=O)cc2C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2 |
| Synonyms | 524698-40-6,
Fmoc-b-(7-methoxy-coumarin-4-yl)-Ala-OH,
Fmoc--(7-methoxy-coumarin-4-yl)-Ala-OH,
(S)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-3-(7-METHOXY-2-OXO-2H-CHROMEN-4-YL)-PROPIONIC ACID,
(S)-2-(Fmoc-amino)-3-(7-methoxy-2-oxo-2H-chromen-4-yl)-propionic acid;Fmoc--(O-methyl-umbellifer-4-yl)-Ala-OH,
SCHEMBL5622852,
CTK1G7855,
MFCD08702736,
ZINC33369280,
AKOS030532618,
ACM524698406,
N-(9H-Fluorene-9-ylmethoxycarbonyl)-3-(2-oxo-7-methoxy-2H-1-benzopyran-4-yl)-L-alanine,
(S)-2-(Fmoc-amino)-3-(7-methoxy-2-oxo-2H-chromen-4-yl)-propionic acid, Fmoc-beta-(O-methyl-umbellifer-4-yl)-Ala-OH,
-2- -3- -PROPIONICACID,
CID11397585,
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(7-methoxy-2-oxo-chromen-4-yl)propanoic Acid,
|
| Complexity | 850 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 485.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 485.492g/mol |
| Monoisotopic Mass | 485.147g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number