| CAS Number | 74578-48-6 |
| Catalog Number | AG00FALD(AGN-PC-0OHHBU) |
| Chemical Name | 4-[[(1,1-Dimethylethoxy)carbonyl]amino]-L-phenylalanine |
| IUPAC Name | (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid |
| InChI | InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-10-6-4-9(5-7-10)8-11(15)12(17)18/h4-7,11H,8,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1 |
| InChI Key | QRMNAMRCSPROFV-NSHDSACASA-N |
| MDL Number | MFCD01860650 |
| Molecular Formula | C14H20N2O4 |
| Molecular Weight | 280.3196 |
| SMILES | N[C@@H](CC1=CC=C(NC(OC(C)(C)C)=O)C=C1)C(O)=O |
| Synonyms | 74578-48-6,
(2S)-2-AMINO-3-(4-[(TERT-BUTOXY)CARBONYLAMINO]PHENYL)PROPANOIC ACID,
H-PHE(4-NH-BOC)-OH,
4-(Boc-amino)-L-phenylalanine,
(S)-2-Amino-3-(4-((tert-butoxycarbonyl)amino)phenyl)propanoic acid,
SCHEMBL2617177,
ZINC2385592,
4230AH,
KM1626,
MFCD01860650,
QRMNAMRCSPROFV-NSHDSACASA-N,
C14H20N2O4,
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| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.324g/mol |
| Monoisotopic Mass | 280.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number