| SpectraBase Spectrum ID |
5jndeSxFB8F |
| Name |
(R)-(S)-2-{[(1R,4R)-4-acetoxycyclopent-2-enyl](toluene-4-sulfonyl)amino}pent-4-enouic acid methyl ester |
| Comments |
Note: The molecular formula of the structure shown is C20H25NO6S - which differs from the formula reported for the mass spectrum (C20H25NO5S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H25NO5S |
| InChI |
InChI=1S/C20H25NO6S/c1-5-6-19(20(23)26-4)21(16-9-10-17(13-16)27-15(3)22)28(24,25)18-11-7-14(2)8-12-18/h5,7-12,16-17,19H,1,6,13H2,2-4H3/t16-,17-,19+/m0/s1 |
| InChIKey |
QFMGCRNPFVVJDK-JENIJYKNSA-N |
| Molecular Weight |
407.481 g/mol |
| SMILES |
COC(=O)[C@@](CC=C)(N([C@@]1(C[C@@](OC(C)=O)(C=C1)[H])[H])S(=O)(=O)c1ccc(C)cc1)[H] |
| SPLASH |
splash10-054o-4900000000-ead5e4593b03d563a1b6 |
| Source of Spectrum |
SO-0-895-5 |
| Wiley ID |
877715 |
amino}pent-4-enouic acid methyl ester](/api/spectrum/5jndeSxFB8F/structure.png?h=300&w=458 "(R)-(S)-2-{[(1R,4R)-4-acetoxycyclopent-2-enyl](toluene-4-sulfonyl)amino}pent-4-enouic acid methyl ester")
