| SpectraBase Spectrum ID |
CCZzzK4BL7R |
| Name |
N-[(9,10-didehydro-6-methylergoline-8.beta.-yl)methyl]-N-(phenylcarbamoylmethyl)-glycine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H28N4O3 |
| InChI |
InChI=1S/C26H28N4O3/c1-29-13-17(10-21-20-8-5-9-22-26(20)18(12-27-22)11-23(21)29)14-30(16-25(32)33)15-24(31)28-19-6-3-2-4-7-19/h2-10,12,17,23,27H,11,13-16H2,1H3,(H,28,31)(H,32,33)/t17-,23-/m1/s1 |
| InChIKey |
GYLQOKYQGVZXSE-UZUQRXQVSA-N |
| Molecular Weight |
444.535 g/mol |
| SMILES |
N(C(CN(CC(=O)O)C[C@@]1(C=C2[C@](N(C)C1)(Cc1c3c2cccc3[nH]c1)[H])[H])=O)c1ccccc1 |
| SPLASH |
splash10-0006-9440000000-7d7964c5f26de3e9e59c |
| Source of Spectrum |
EMC-34-120-c |
| Synonyms |
2-((((6aR,9S)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl)(2-oxo-2-(phenylamino)ethyl)amino)acetic acid |
| Wiley ID |
1734513 |
![N-[(9,10-didehydro-6-methylergoline-8.beta.-yl)methyl]-N-(phenylcarbamoylmethyl)-glycine](/api/spectrum/CCZzzK4BL7R/structure.png?h=300&w=458 "N-[(9,10-didehydro-6-methylergoline-8.beta.-yl)methyl]-N-(phenylcarbamoylmethyl)-glycine")
