SpectraBase Compound ID | HJQgXbRgEuv |
---|---|
InChI | InChI=1S/C16H20N2O3/c19-15-14-7-4-9-18(14)16(20)13(17-15)8-10-21-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,17,19)/t13-,14?/m1/s1 |
InChIKey | MZSGZTZDZRGLJW-KWCCSABGSA-N |
Mol Weight | 288.35 g/mol |
Molecular Formula | C16H20N2O3 |
Exact Mass | 288.147393 g/mol |
SpectraBase Spectrum ID | DBELbQHzElX |
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Name | Cyclo[-D-pro-L-thr(bzl)-] |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 288.147392509 u |
Formula | C16H20N2O3 |
InChI | InChI=1S/C16H20N2O3/c19-15-14-7-4-9-18(14)16(20)13(17-15)8-10-21-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,17,19)/t13-,14?/m1/s1 |
InChIKey | MZSGZTZDZRGLJW-KWCCSABGSA-N |
SMILES | C1(N2C(C(N[C@@]1(CCOCC1=CC=CC=C1)[H])=O)CCC2)=O |