| CAS Number | 1217759-04-0 |
| Catalog Number | AG00HGEN(AGN-PC-0WBOAF) |
| Chemical Name | Fmoc-d-2-carbamoylphenylalanine |
| IUPAC Name | (2R)-3-(2-carbamoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C25H22N2O5/c26-23(28)16-8-2-1-7-15(16)13-22(24(29)30)27-25(31)32-14-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h1-12,21-22H,13-14H2,(H2,26,28)(H,27,31)(H,29,30)/t22-/m1/s1 |
| InChI Key | JHXIDHXZDZFPNT-JOCHJYFZSA-N |
| MDL Number | MFCD06659135 |
| Molecular Formula | C25H22N2O5 |
| Molecular Weight | 430.4526 |
| SMILES | C(OC(=O)N[C@H](Cc1c(C(=O)N)cccc1)C(=O)O)C1c2c(c3c1cccc3)cccc2 |
| Synonyms | Fmoc-D-2-Carbamoylphe,
FMOC-D-2-CARBAMOYLPHENYLALANINE,
1217759-04-0,
(2R)-3-(2-carbamoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid,
AC1OGBEE,
ZINC4241939,
6810AH,
MFCD06659135,
PS-12786,
(2R)-3-(2-aminocarbonylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid,
(2R)-3-(2-carbamoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid,
(2R)-3-(2-carbamoylphenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid,
C25H22N2O5,
CID7146215,
(2S)-3-(2-carbamoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid,
|
| Complexity | 676 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 430.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 430.46g/mol |
| Monoisotopic Mass | 430.153g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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