| CAS Number | 218962-77-7 |
| Catalog Number | AG006YPH(AGN-PC-0O7WVA) |
| Chemical Name | 4-tert-Butyloxycarbonyl-L-phenylalanine |
| IUPAC Name | (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]propanoic acid |
| InChI | InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)10-6-4-9(5-7-10)8-11(15)12(16)17/h4-7,11H,8,15H2,1-3H3,(H,16,17)/t11-/m0/s1 |
| InChI Key | KDWYFVGLKNKOMV-NSHDSACASA-N |
| MDL Number | MFCD01318767 |
| Molecular Formula | C14H19NO4 |
| Molecular Weight | 265.3050 |
| SMILES | C([C@@H](C(=O)O)N)c1ccc(cc1)C(=O)OC(C)(C)C |
| Synonyms | 218962-77-7,
H-P-CARBOXY-PHE(OTBU)-OH,
4-tert-Butyloxycarbonyl-L-phenylalanine,
(S)-2-amino-3-(4-(tert-butoxycarbonyl)phenyl)propanoic acid,
SCHEMBL2617129,
CTK8E5068,
DTXSID70426531,
KDWYFVGLKNKOMV-NSHDSACASA-N,
ZINC2244318,
7214AH,
MFCD01318767,
AKOS027251003,
4-(tert-Butoxycarbonyl)-L-phenylalanine,
ACM218962777,
RT-009870,
K-6213,
H-P-CARBOXY-PHE -OH,
C14H19NO4,
CID7006691,
(2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]propanoic Acid,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.309g/mol |
| Monoisotopic Mass | 265.131g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number