| CAS Number | 1214028-21-3 |
| Catalog Number | AG009B0F(AGN-PC-0WC25D) |
| Chemical Name | Fmoc-beta-methyl-DL-phenylalanine |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylbutanoic acid |
| InChI | InChI=1S/C25H23NO4/c1-16(17-9-3-2-4-10-17)23(24(27)28)26-25(29)30-15-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,16,22-23H,15H2,1H3,(H,26,29)(H,27,28) |
| InChI Key | ZQWJZRLWGALBIQ-UHFFFAOYSA-N |
| MDL Number | MFCD01823266 |
| Molecular Formula | C25H23NO4 |
| Molecular Weight | 401.4544 |
| SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)C(C=4C=CC=CC4)C |
| Synonyms | Fmoc-beta-methyl-DL-phenylalanine,
1214028-21-3,
2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylbutanoic acid,
AC1MN4M1,
MLS001242780,
SCHEMBL3676542,
CHEMBL1522079,
CTK7G4010,
HMS2192K14,
1116AD,
AKOS015837365,
MCULE-7551362573,
SMR000841515,
TR-062107,
J-004489,
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylbutanoic acid,
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-phenylbutanoic acid,
C25H23NO4,
CID3296415,
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-butanoic Acid,
321524-79-2,
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| Complexity | 580 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 401.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 401.462g/mol |
| Monoisotopic Mass | 401.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number