| CAS Number | 104504-42-9 |
| Catalog Number | AG008Y6T(AGN-PC-0NVSMV) |
| Chemical Name | Ac-d-bpa-oh |
| IUPAC Name | (2R)-2-acetamido-3-(4-benzoylphenyl)propanoic acid |
| InChI | InChI=1S/C18H17NO4/c1-12(20)19-16(18(22)23)11-13-7-9-15(10-8-13)17(21)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,19,20)(H,22,23)/t16-/m1/s1 |
| InChI Key | WLYJTWQCNXWBRA-MRXNPFEDSA-N |
| MDL Number | MFCD00672369 |
| Molecular Formula | C18H17NO4 |
| Molecular Weight | 311.3319 |
| SMILES | O=C(O)[C@H](NC(C)=O)CC1=CC=C(C(C2=CC=CC=C2)=O)C=C1 |
| Synonyms | AC-D-BPA-OH,
104504-42-9,
Ac-p-Bz-D-Phe-OH,
Acetyl-4-benzoyl-D-phenylalanine,
(R)-2-Acetamido-3-(4-benzoylphenyl)propanoic acid,
AC1ODTY1,
(2R)-2-acetamido-3-(4-benzoylphenyl)propanoic Acid,
SCHEMBL10622597,
CTK8E5614,
DTXSID40427292,
ZINC2567641,
6080AH,
MFCD00672369,
AKOS025294010,
RT-011177,
K-0419,
C18H17NO4,
CID7020805,
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| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.337g/mol |
| Monoisotopic Mass | 311.116g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 83.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number