| CAS Number | 1252046-18-6 |
| Catalog Number | AG00J098(AGN-PC-0WB2P1) |
| Chemical Name | (2S)-4-(4-ethoxyphenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid |
| IUPAC Name | (2S)-4-(4-ethoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C27H27NO5/c1-2-32-19-14-11-18(12-15-19)13-16-25(26(29)30)28-27(31)33-17-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-12,14-15,24-25H,2,13,16-17H2,1H3,(H,28,31)(H,29,30)/t25-/m0/s1 |
| InChI Key | GEMUBACKFRPGNS-VWLOTQADSA-N |
| MDL Number | MFCD16890155 |
| Molecular Formula | C27H27NO5 |
| Molecular Weight | 445.5070 |
| SMILES | O=C(OCC2(C1(=C(C=CC=C1)C3(=C2C=CC=C3))))NC(C(=O)O)CCC4(=CC=C(OCC)C=C4) |
| Synonyms | (2S)-4-(4-ethoxyphenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid,
1252046-18-6,
CTK6G1915,
MFCD16890155,
ZINC52508219,
AKOS015838835,
RP17258,
SS-4165,
KS-00002B66,
TR-071441,
ethoxyphenylfluorenylmethoxycarbonylaminobutanoicacid,
|
| Complexity | 624 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 445.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 445.515g/mol |
| Monoisotopic Mass | 445.189g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number