| SpectraBase Spectrum ID |
7k0hlpvrJRw |
| Name |
4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-2-[2-(1H-indol-3-yl)ethyl]-7-oxo-, 1,1-dimethylethyl ester, cis-(.+-.)- |
| Alternate Name(s) |
2-Tryptophyl-4-(tert-butoxycarbonyl)-7-keto-1,2,7,8,9,10-hexahydroisoquinoline
tert-Butyl (4aS,8aR)-2-[2-(1H-indol-3-yl)ethyl]-7-oxo-1,2,4a,7,8,8a-hexahydro-4-isoquinolinecarboxylate |
| CAS Registry Number |
129265-13-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H28N2O3 |
| InChI |
InChI=1S/C24H28N2O3/c1-24(2,3)29-23(28)21-15-26(14-17-12-18(27)8-9-19(17)21)11-10-16-13-25-22-7-5-4-6-20(16)22/h4-9,13,15,17,19,25H,10-12,14H2,1-3H3/t17-,19-/m0/s1 |
| InChIKey |
SZKYXUGODMLVOP-HKUYNNGSSA-N |
| Molecular Weight |
392.499 g/mol |
| SMILES |
[nH]1c2c(c(c1)CCN1C=C(C(OC(C)(C)C)=O)[C@@]3([C@](CC(C=C3)=O)([H])C1)[H])cccc2 |
| SPLASH |
splash10-06su-0934000000-a5c5d89990963ae161b2 |
| Source of Spectrum |
C-112-7688-20 |
| Wiley ID |
1365965 |
