| CAS Number | 82933-21-9 |
| Catalog Number | AG00G643(AGN-PC-0OIRJA) |
| Chemical Name | Bz-Asp-Ome |
| IUPAC Name | (3S)-3-benzamido-4-methoxy-4-oxobutanoic acid |
| InChI | InChI=1S/C12H13NO5/c1-18-12(17)9(7-10(14)15)13-11(16)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,16)(H,14,15)/t9-/m0/s1 |
| InChI Key | QKUIURWOJPUEOY-VIFPVBQESA-N |
| MDL Number | MFCD00237594 |
| Molecular Formula | C12H13NO5 |
| Molecular Weight | 251.2353 |
| SMILES | COC(=O)C(CC(=O)O)NC(=O)C1=CC=CC=C1 |
| Synonyms | BZ-ASP-OME,
82933-21-9,
bz-asp-ome, AldrichCPR,
ZINC2560876,
6482AH,
KM2144,
MFCD00237594,
Benzoyl-L-aspartic acid alpha- methyl ester,
L-Aspartic acid,N-benzoyl-,1-methyl ester,
C12H13NO5,
CID7019906,
(3S)-3-benzamido-4-methoxy-4-oxo-butanoic Acid,
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| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.238g/mol |
| Monoisotopic Mass | 251.079g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 92.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number