![[3aS-[3a.alpha.,4.beta.(1R*),6a.alpha.]]-Hexahydro-2-oxo-N-[2-amino-3-methylpentyl-1H-thieno[3,4-d]imidazole-4-pentannamide](/api/spectrum/IyRUl4knJMJ/structure.png?h=300&w=458 "[3aS-[3a.alpha.,4.beta.(1R*),6a.alpha.]]-Hexahydro-2-oxo-N-[2-amino-3-methylpentyl-1H-thieno[3,4-d]imidazole-4-pentannamide")
| SpectraBase Compound ID | 8zXTIj6591o |
|---|---|
| InChI | InChI=1S/C16H30N4O2S/c1-3-10(2)11(17)8-18-14(21)7-5-4-6-13-15-12(9-23-13)19-16(22)20-15/h10-13,15H,3-9,17H2,1-2H3,(H,18,21)(H2,19,20,22)/t10?,11-,12-,13+,15-/m1/s1 |
| InChIKey | VHNDEOOGJKDUDT-ZVQQGMGZSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C16H30N4O2S |
| Exact Mass | 342.208947 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyRUl4knJMJ |
|---|---|
| Name | [3as-[3A.alpha.,4.beta.(1R*),6A.alpha.]]-hexahydro-2-oxo-N-[2-amino-3-methylpentyl-1H-thieno[3,4-D]imidazole-4-pentannamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.208947394 u |
| Formula | C16H30N4O2S |
| InChI | InChI=1S/C16H30N4O2S/c1-3-10(2)11(17)8-18-14(21)7-5-4-6-13-15-12(9-23-13)19-16(22)20-15/h10-13,15H,3-9,17H2,1-2H3,(H,18,21)(H2,19,20,22)/t10?,11-,12-,13+,15-/m1/s1 |
| InChIKey | VHNDEOOGJKDUDT-ZVQQGMGZSA-N |
| Molecular Weight | 342.502 g/mol |
| SMILES | C1(N[C@]2([C@](CCCCC(NC[C@@](N)(C(CC)C)[H])=O)(SC[C@]2(N1)[H])[H])[H])=O |