| CAS Number | 945551-93-9 |
| Catalog Number | AG01DHB5 |
| Chemical Name | (1R,2S)-N1,N2-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3,3-dimethylcyclopropane-1,2-dicarboxamide |
| IUPAC Name | 1-N,2-N-bis(1-hydroxy-3-phenylpropan-2-yl)-3,3-dimethylcyclopropane-1,2-dicarboxamide |
| InChI | InChI=1S/C25H32N2O4/c1-25(2)21(23(30)26-19(15-28)13-17-9-5-3-6-10-17)22(25)24(31)27-20(16-29)14-18-11-7-4-8-12-18/h3-12,19-22,28-29H,13-16H2,1-2H3,(H,26,30)(H,27,31) |
| InChI Key | RQVVHSSUGAURAX-UHFFFAOYSA-N |
| MDL Number | MFCD31803832 |
| Molecular Formula | C25H32N2O4 |
| Molecular Weight | 424.5326 |
| SMILES | CC1(C)[C@@H]([C@@H]1C(=O)N[C@H](CO)Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1 |
| Synonyms | (1R, 2S)-N,N inverted exclamation marka-Bis[ (1S)-2-hydroxy-1-phenylmethylethyl]-3,3-dimethyl-1,2-cyclopropanediamide,
945551-93-9,
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| Complexity | 546 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 424.236g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.541g/mol |
| Monoisotopic Mass | 424.236g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 98.7A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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