| SpectraBase Spectrum ID |
BVDA4E1vtTo |
| Name |
(2R)-2-acetamido-3-(4-bromo-1-tosyl-indol-3-yl)propionic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21BrN2O5S |
| InChI |
InChI=1S/C21H21BrN2O5S/c1-13-7-9-16(10-8-13)30(27,28)24-12-15(20-17(22)5-4-6-19(20)24)11-18(21(26)29-3)23-14(2)25/h4-10,12,18H,11H2,1-3H3,(H,23,25)/t18-/m1/s1 |
| InChIKey |
JLJXHTLNBUBEAU-GOSISDBHSA-N |
| Molecular Weight |
493.372 g/mol |
| SMILES |
N([C@@](C(=O)OC)(Cc1c[n](c2cccc(c12)Br)S(=O)(=O)c1ccc(C)cc1)[H])C(=O)C |
| SPLASH |
splash10-0006-9000000000-dc1beca19718cd214d24 |
| Source of Spectrum |
O1-55-657-15 |
| Synonyms |
(2R)-2-acetamido-3-[4-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]propanoic acid methyl ester
methyl (2R)-2-acetamido-3-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]propanoate
methyl (2R)-2-acetamido-3-[4-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]propanoate
methyl (2R)-2-acetamido-3-[4-bromo-1-(p-tolylsulfonyl)indol-3-yl]propanoate |
| Wiley ID |
1591253 |
