| SpectraBase Spectrum ID |
3xYw6LvUzkm |
| Name |
threo-2-{2'-[(Allyloxycarbonyl)amino]-1'-(1"-benzyl-3''-indolyl)-2'-(ethoxycarbonyl)ethyl]}malonic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H28N2O8 |
| InChI |
InChI=1S/C27H28N2O8/c1-3-14-37-27(35)28-23(26(34)36-4-2)21(22(24(30)31)25(32)33)19-16-29(15-17-10-6-5-7-11-17)20-13-9-8-12-18(19)20/h3,5-13,16,21-23H,1,4,14-15H2,2H3,(H,28,35)(H,30,31)(H,32,33)/t21-,23+/m1/s1 |
| InChIKey |
YZPMNUOHJNLNSD-GGAORHGYSA-N |
| Molecular Weight |
508.527 g/mol |
| SMILES |
OC(C(C(=O)O)[C@@](c1c[n](Cc2ccccc2)c2c1cccc2)([C@](NC(=O)OCC=C)(C(=O)OCC)[H])[H])=O |
| SPLASH |
splash10-0006-9020000000-21d2ec046d50e19b161a |
| Source of Spectrum |
SK-26-3052-28 |
| Synonyms |
threo-2-{2'-[(Allyloxycarbonyl)amino]-1'-(1''-benzyl-3''-indolyl)-2'-(ethoxycarbonyl)ethyl]}malonic acid
2-[(1S,2S)-3-ethoxy-3-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]-1-[1-(phenylmethyl)-3-indolyl]propyl]propanedioic acid
2-[(1S,2S)-1-(1-benzylindol-3-yl)-3-ethoxy-3-oxo-2-(prop-2-enoxycarbonylamino)propyl]propanedioic acid
2-[(1S,2S)-2-(allyloxycarbonylamino)-1-(1-benzylindol-3-yl)-3-ethoxy-3-oxo-propyl]propanedioic acid
2-[(1S,2S)-3-ethoxy-3-oxidanylidene-1-[1-(phenylmethyl)indol-3-yl]-2-(prop-2-enoxycarbonylamino)propyl]propanedioic acid |
| Wiley ID |
867253 |
![threo-2-{2'-[(Allyloxycarbonyl)amino]-1'-(1"-benzyl-3''-indolyl)-2'-(ethoxycarbonyl)ethyl]}malonic acid](/api/spectrum/3xYw6LvUzkm/structure.png?h=300&w=458 "threo-2-{2'-[(Allyloxycarbonyl)amino]-1'-(1\"-benzyl-3''-indolyl)-2'-(ethoxycarbonyl)ethyl]}malonic acid")
