| SpectraBase Spectrum ID |
7JZbp1mrsWF |
| Name |
1-[2-[(2-Hydroxy-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid, 2me derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.231122133 u |
| Formula |
C22H32N2O5 |
| InChI |
InChI=1S/C22H32N2O5/c1-15(2)19(21(26)24-13-9-12-17(24)22(27)29-5)23(3)20(25)18(28-4)14-16-10-7-6-8-11-16/h6-8,10-11,15,17-19H,9,12-14H2,1-5H3 |
| InChIKey |
OYNKAZPUALCHOQ-UHFFFAOYSA-N |
| Molecular Weight |
404.507 g/mol |
| SMILES |
COC(=O)C1N(C(=O)C(C(C)C)N(C(=O)C(OC)CC2=CC=CC=C2)C)CCC1 |
![1-[2-[(2-Hydroxy-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid, 2me derivative](/api/spectrum/7JZbp1mrsWF/structure.png?h=300&w=458 "1-[2-[(2-Hydroxy-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid, 2me derivative")
