SpectraBase Spectrum ID |
8oAGhfhNScB |
Name |
syn-(4S)-3-[(2S,3S)-3-Hydroxy-2-methyl-1-oxo-3-(1-phenylsulfanylcyclohexyl)propyl]-4-phenylmethyl-1,3-dioxazolidin-2-one |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C26H31NO4S |
InChI |
InChI=1S/C26H31NO4S/c1-19(23(28)26(15-9-4-10-16-26)32-22-13-7-3-8-14-22)24(29)27-21(18-31-25(27)30)17-20-11-5-2-6-12-20/h2-3,5-8,11-14,19,21,23,28H,4,9-10,15-18H2,1H3/t19-,21-,23-/m0/s1 |
InChIKey |
YOMAOCHUDUQELE-RRPUWOKSSA-N |
Molecular Weight |
453.597 g/mol |
SMILES |
O[C@](C1(Sc2ccccc2)CCCCC1)([C@@](C(N1C(OC[C@@]1(Cc1ccccc1)[H])=O)=O)(C)[H])[H] |
SPLASH |
splash10-000f-9800000000-71f064c0bc6f13796dda |
Source of Spectrum |
KC-0-2415-9 |
Synonyms |
(4S)-4-benzyl-3-{(2S,3S)-3-hydroxy-2-methyl-3-[1-(phenylsulfanyl)cyclohexyl]propanoyl}-1,3-oxazolidin-2-one |
Wiley ID |
784307 |