| SpectraBase Spectrum ID |
GgGxvxcyIDa |
| Name |
N-(.alpha.-Cyano-p-methylsulfanylbenzyl)-N-normonylmonamide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H36N2O6S |
| InChI |
InChI=1S/C26H36N2O6S/c1-14(10-23(30)28-20(12-27)17-5-7-19(35-4)8-6-17)9-21-25(32)24(31)18(13-33-21)11-22-26(34-22)15(2)16(3)29/h5-8,10,15-16,18,20-22,24-26,29,31-32H,9,11,13H2,1-4H3,(H,28,30)/b14-10+/t15-,16-,18-,20?,21-,22-,24+,25-,26-/m0/s1 |
| InChIKey |
AEPLORBEUWBRCR-KBIKISDSSA-N |
| Molecular Weight |
504.642 g/mol |
| SMILES |
O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\C(NC(C#N)c1ccc(cc1)SC)=O)C)[H])[H])[H])[H])(C)[H])(C)[H] |
| SPLASH |
splash10-004i-0900000000-018ef915ccccdecc2c0d |
| Source of Spectrum |
KC-0-2662-1 |
| Synonyms |
(2E)-N-{cyano[4-(methylsulfanyl)phenyl]methyl}-4-[(3R,4R)-3,4-dihydroxy-5-{[(2S,3S)-3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}oxan-2-yl]-3-methylbut-2-enamide
(E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-2-yl}-3-methyl-but-2-enoic acid[cyano-(4-methylsulfanyl-phenyl)-methyl]-amide
(E)-N-[cyano-[4-(methylthio)phenyl]methyl]-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-oxanyl]-3-methyl-2-butenamide
(E)-N-[cyano-(4-methylsulfanylphenyl)methyl]-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enamide
(E)-N-[cyano-(4-methylsulfanylphenyl)methyl]-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-but-2-enamide
(E)-4-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-N-[cyano-(4-methylsulfanylphenyl)methyl]-3-methyl-but-2-enamide |
| Wiley ID |
782311 |
