| SpectraBase Compound ID | C3UIvcJevNY |
|---|---|
| InChI | InChI=1S/C16H24N6O4S/c1-27-5-4-10(14(17)24)21-16(26)12(6-9-7-18-8-19-9)22-15(25)11-2-3-13(23)20-11/h7-8,10-12H,2-6H2,1H3,(H2,17,24)(H,18,19)(H,20,23)(H,21,26)(H,22,25) |
| InChIKey | AXEVGKSSXYPEKL-UHFFFAOYSA-N |
| Mol Weight | 396.47 g/mol |
| Molecular Formula | C16H24N6O4S |
| Exact Mass | 396.157974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYErhM7dEXq |
|---|---|
| Name | L-Methioninamide, 5-oxo-L-prolyl-L-histidyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.157974447 u |
| Formula | C16H24N6O4S |
| InChI | InChI=1S/C16H24N6O4S/c1-27-5-4-10(14(17)24)21-16(26)12(6-9-7-18-8-19-9)22-15(25)11-2-3-13(23)20-11/h7-8,10-12H,2-6H2,1H3,(H2,17,24)(H,18,19)(H,20,23)(H,21,26)(H,22,25) |
| InChIKey | AXEVGKSSXYPEKL-UHFFFAOYSA-N |
| Molecular Weight | 396.466 g/mol |
| SMILES | C1(N[C@@](CC1)(C(N[C@@](CC1=CNC=N1)(C(=O)N[C@@](CCSC)(C(=O)N)[H])[H])=O)[H])=O |