| CAS Number | 328406-65-1 |
| Catalog Number | AG00D4K4(AGN-PC-0O8YJ8) |
| Chemical Name | (S)-NIFE |
| IUPAC Name | 2-methoxyethyl (2S)-2-[(4-nitrophenoxy)carbonylamino]-3-phenylpropanoate |
| InChI | InChI=1S/C19H20N2O7/c1-26-11-12-27-18(22)17(13-14-5-3-2-4-6-14)20-19(23)28-16-9-7-15(8-10-16)21(24)25/h2-10,17H,11-13H2,1H3,(H,20,23)/t17-/m0/s1 |
| InChI Key | ZSOUYIBYVUBOGT-KRWDZBQOSA-N |
| MDL Number | MFCD04974576 |
| Molecular Formula | C19H20N2O7 |
| Molecular Weight | 388.3713 |
| SMILES | COCCOC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccc(cc1)[N+](=O)[O-] |
| Synonyms | (S)-NIFE,
328406-65-1,
CTK8E9032,
DTXSID20585021,
ZINC2541739,
AKOS030532688,
SC-52485,
RT-015569,
(S)-NIFE, for chiral derivatization, >=98.0%,
J-018902,
L-Phenylalanine,N-[(4-nitrophenoxy)carbonyl]-, 2-m,
2-Methoxyethyl N-[(4-nitrophenoxy)carbonyl]-L-phenylalaninate,
N-(4-Nitrophenoxycarbonyl)-L-phenylalanine 2-methoxyethyl ester,
-NIFE,
L-Phenylalanine,N-[(4-nitrophenoxy)carbonyl]-, 2-methoxyethyl ester,
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| Complexity | 509 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 388.376g/mol |
| Monoisotopic Mass | 388.127g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number