| SpectraBase Spectrum ID |
6Syh9NK9pFL |
| Name |
5-Amino-1-(p-nitrophenyl)-3-normonyl-1H-1,2,4-triazole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H33N5O7 |
| InChI |
InChI=1S/C24H33N5O7/c1-12(9-20-26-24(25)28(27-20)16-4-6-17(7-5-16)29(33)34)8-18-22(32)21(31)15(11-35-18)10-19-23(36-19)13(2)14(3)30/h4-7,9,13-15,18-19,21-23,30-32H,8,10-11H2,1-3H3,(H2,25,26,27)/b12-9+/t13-,14-,15-,18-,19-,21+,22-,23-/m0/s1 |
| InChIKey |
LIBUPCOPGXGFIB-MNXQGCJHSA-N |
| Molecular Weight |
503.556 g/mol |
| SMILES |
O[C@@]1([C@](CO[C@]([C@@]1(O)[H])(C\C(=C\c1nc([n](-c2ccc(N(=O)=O)cc2)n1)N)C)[H])(C[C@@]1(O[C@]1([C@]([C@@](O)(C)[H])(C)[H])[H])[H])[H])[H] |
| SPLASH |
splash10-0a4i-0090000000-973568c08cb74df2f4a2 |
| Source of Spectrum |
KC-0-2665-3 |
| Synonyms |
(2S,3R,4R)-2-{(E)-3-[5-Amino-1-(4-nitro-phenyl)-1H-[1,2,4]triazol-3-yl]-2-methyl-allyl}-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-3,4-diol
(3S,4S)-2-[(1E)-3-[5-amino-1-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]-2-methylprop-1-en-1-yl]-5-{[(2S,3R)-3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}oxane-3,4-diol
(2S,3R,4R,5S)-2-[(E)-3-[5-amino-1-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-methylprop-2-enyl]-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]oxane-3,4-diol
(2S,3R,4R,5S)-2-[(E)-3-[5-amino-1-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-methylprop-2-enyl]-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxane-3,4-diol
(2S,3R,4R,5S)-2-[(E)-3-[5-azanyl-1-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-methyl-prop-2-enyl]-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxane-3,4-diol |
| Wiley ID |
782297 |
