| SpectraBase Spectrum ID |
7Q3V0X2lZyZ |
| Name |
2-[[(2S)-2-(1,3-dioxo-2-isoindolyl)-3-methyl-1-oxobutyl]amino]propanedioic acid dimethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.127050985 u |
| Formula |
C18H20N2O7 |
| InChI |
InChI=1S/C18H20N2O7/c1-9(2)13(14(21)19-12(17(24)26-3)18(25)27-4)20-15(22)10-7-5-6-8-11(10)16(20)23/h5-9,12-13H,1-4H3,(H,19,21)/t13-/m0/s1 |
| InChIKey |
UMZGJXGQBPMRCW-ZDUSSCGKSA-N |
| Molecular Weight |
376.365 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)[C@](C(NC(C(=O)OC)C(=O)OC)=O)(C(C)C)[H])=O |
![2-[[(2S)-2-(1,3-dioxo-2-isoindolyl)-3-methyl-1-oxobutyl]amino]propanedioic acid dimethyl ester](/api/spectrum/7Q3V0X2lZyZ/structure.png?h=300&w=458 "2-[[(2S)-2-(1,3-dioxo-2-isoindolyl)-3-methyl-1-oxobutyl]amino]propanedioic acid dimethyl ester")
