(1S,2S,4R)-1-[(2R,3S)-3-Amino-2-Hydroxy-4-Phenyl-Butyl]-4-(3-Pyridylmethylsulfanyl)Piperidine-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C22H29N3O3S |
| IUPAC Name | (1s,2s,4r)-1-[(2r,3s)-3-amino-2-hydroxy-4-phenyl-butyl]-4-(3-pyridylmethylsulfanyl)piperidine-2-carboxylic acid |
| Molecular Mass | 415.549 g·mol−1 |
| Heat of Formation | -365.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.99 ± 1.08 D |
| Volume | 513.96 Å 3 |
| Surface Area | 438.46 Å 2 |
| HOMO Energy | -8.77 ± 0.55 eV |
| LUMO Energy | -0.46 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZHXWLXZCNVHJFZ-IVAOSVALSA-N |
| QR Code | Generate QR Code |
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| Elements | H C S O N |