| SpectraBase Compound ID | 3jv6pG6Jsuh |
|---|---|
| InChI | InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1 |
| InChIKey | VGGGPCQERPFHOB-RDBSUJKOSA-N |
| Mol Weight | 308.38 g/mol |
| Molecular Formula | C16H24N2O4 |
| Exact Mass | 308.173607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7r2qZATx7Py |
|---|---|
| Name | (2S,3R)-N-(3-Amino-2-hydroxy-4-phenylbutanoyl)-L-leucine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.173607257 u |
| Formula | C16H24N2O4 |
| InChI | InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1 |
| InChIKey | VGGGPCQERPFHOB-RDBSUJKOSA-N |
| Molecular Weight | 308.378 g/mol |
| SMILES | N(C([C@]([C@@](CC1=CC=CC=C1)(N)[H])(O)[H])=O)[C@](C(O)=O)(CC(C)C)[H] |