| SpectraBase Spectrum ID |
B77LemBeLgQ |
| Name |
N-[(S)-3-Aminobutyryl)]-(S)-3-aminobutyric acid, N-(N-propyloxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.168521876 u |
| Formula |
C13H24N2O5 |
| InChI |
InChI=1S/C13H24N2O5/c1-5-6-20-13(18)15-9(2)7-11(16)14-10(3)8-12(17)19-4/h9-10H,5-8H2,1-4H3,(H,14,16)(H,15,18)/t9-,10-/m1/s1 |
| InChIKey |
NRXJKYAGAPJBGA-NXEZZACHSA-N |
| SMILES |
C([C@@](C)(NC(OCCC)=O)[H])C(=O)N[C@@](CC(=O)OC)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910248 |
![N-[(S)-3-Aminobutyryl)]-(S)-3-aminobutyric acid, N-(N-propyloxycarbonyl)-, methyl ester](/api/spectrum/B77LemBeLgQ/structure.png?h=300&w=458 "N-[(S)-3-Aminobutyryl)]-(S)-3-aminobutyric acid, N-(N-propyloxycarbonyl)-, methyl ester")
