| CAS Number | 1213190-47-6 |
| Catalog Number | AG00HG35(AGN-PC-0WBOAA) |
| Chemical Name | Boc-D-3-carbamoylphenylalanine |
| IUPAC Name | (2R)-3-(3-carbamoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C15H20N2O5/c1-15(2,3)22-14(21)17-11(13(19)20)8-9-5-4-6-10(7-9)12(16)18/h4-7,11H,8H2,1-3H3,(H2,16,18)(H,17,21)(H,19,20)/t11-/m1/s1 |
| InChI Key | JCPCVUPCEXUFGD-LLVKDONJSA-N |
| MDL Number | MFCD06659120 |
| Molecular Formula | C15H20N2O5 |
| Molecular Weight | 308.3297 |
| SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CC=CC(=C1)C(N)=O)C(O)=O |
| Synonyms | Boc-D-3-Carbamoylphe,
1213190-47-6,
(2R)-3-(3-carbamoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,
BOC-D-3-CARBAMOYLPHENYLALANINE,
AC1OGBF7,
ZINC4241951,
D-Phenylalanine, 3-(aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-,
MFCD06659120,
(2R)-2-[(tert-butoxycarbonyl)amino]-3-(3-carbamoylphenyl)propanoic acid,
PS-12790,
K-1519,
(2R)-2-(tert-butoxycarbonylamino)-3-(3-carbamoylphenyl)propanoic acid,
(2R)-2-(tert-butoxycarbonylamino)-3-(3-carbamoylphenyl)propionic acid,
(2R)-3-(3-aminocarbonylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,
(2R)-3-(3-carbamoylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid,
CID7146225,
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| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.334g/mol |
| Monoisotopic Mass | 308.137g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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