| CAS Number | 284492-01-9 |
| Catalog Number | AG00BEFZ |
| Chemical Name | 3-N-fmoc-3-(3-methoxyphenyl)propionicacid |
| IUPAC Name | 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methoxyphenyl)propanoic acid |
| InChI | InChI=1S/C25H23NO5/c1-30-17-8-6-7-16(13-17)23(14-24(27)28)26-25(29)31-15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28) |
| InChI Key | SOJXDPVBOJLSIA-UHFFFAOYSA-N |
| MDL Number | MFCD02090648 |
| Molecular Formula | C25H23NO5 |
| Molecular Weight | 417.4538 |
| SMILES | COC1=CC(C(CC(O)=O)NC(OCC2C3=CC=CC=C3C4=CC=CC=C42)=O)=CC=C1 |
| Synonyms | 3-N-FMOC-3-(3-METHOXYPHENYL)PROPIONIC ACID,
284492-01-9,
AC1MBZV1,
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methoxyphenyl)propanoic Acid,
AKOS033913959,
ACM284492019,
BBV-38260437,
3-N-FMOC-3-(3-METHOXYPHENYL)PROPIONICACID,
3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(3-methoxyphenyl)propanoic acid,
CID2759197,
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-methoxyphenyl)propanoic acid,
501015-29-8,
(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-methoxyphenyl)propanoic acid,
3-(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(3-methoxyphenyl)-propanoic acid,
511272-32-5,
|
| Complexity | 603 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 417.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 417.461g/mol |
| Monoisotopic Mass | 417.158g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number