![(2S)-2-amino-N-[3-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]propyl]-3-phenylpropanamide](/api/spectrum/CY4tGN9dW7U/structure.png?h=300&w=458 "(2S)-2-amino-N-[3-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]propyl]-3-phenylpropanamide")
| SpectraBase Compound ID | BaGEJPCeYeE |
|---|---|
| InChI | InChI=1S/C21H28N4O2/c22-18(14-16-8-3-1-4-9-16)20(26)24-12-7-13-25-21(27)19(23)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22-23H2,(H,24,26)(H,25,27)/t18-,19-/m0/s1 |
| InChIKey | SHBBXZCNRSYJTA-OALUTQOASA-N |
| Mol Weight | 368.48 g/mol |
| Molecular Formula | C21H28N4O2 |
| Exact Mass | 368.221226 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CY4tGN9dW7U |
|---|---|
| Name | (2S)-2-Amino-N-[3-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]propyl]-3-phenylpropanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.221226156 u |
| Formula | C21H28N4O2 |
| InChI | InChI=1S/C21H28N4O2/c22-18(14-16-8-3-1-4-9-16)20(26)24-12-7-13-25-21(27)19(23)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22-23H2,(H,24,26)(H,25,27)/t18-,19-/m0/s1 |
| InChIKey | SHBBXZCNRSYJTA-OALUTQOASA-N |
| Molecular Weight | 368.481 g/mol |
| SMILES | C([C@](CC1=CC=CC=C1)(N)[H])(=O)NCCCNC([C@](CC=1C=CC=CC1)(N)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839321 |