| CAS Number | 1207726-28-0 |
| Catalog Number | AG01CBSZ(AGN-PC-0WP1A8) |
| Chemical Name | Ampicillin Desoxocarboxylic Acid-[(R)-Phenylglycine] |
| IUPAC Name | (2R)-2-[[(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-2-phenylacetic acid |
| InChI | InChI=1S/C24H26N4O5S/c1-24(2)18(20(30)26-16(23(32)33)14-11-7-4-8-12-14)28-21(31)17(22(28)34-24)27-19(29)15(25)13-9-5-3-6-10-13/h3-12,15-18,22H,25H2,1-2H3,(H,26,30)(H,27,29)(H,32,33)/t15-,16-,17-,18+,22-/m1/s1 |
| InChI Key | VSAAMYOCWYQYDF-OSAVLUCMSA-N |
| Molecular Formula | C24H26N4O5S |
| Molecular Weight | 482.5520 |
| SMILES | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)N[C@@H](C(=O)O)c4ccccc4 |
| UNII | 7811RA358Y |
| Synonyms | Ampicillinyl-D-phenylglycine,
UNII-7811RA358Y,
7811RA358Y,
1207726-28-0,
Ampicillin phenylglycylamide,
DTXSID00153005,
Ampicillin EP Impurity E,
|
| Complexity | 824 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 482.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 482.555g/mol |
| Monoisotopic Mass | 482.162g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 167A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number