SpectraBase Spectrum ID |
6LJE4mWh81i |
Name |
6-(4-{3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-benzoyl)-piperazin-1-yl)-hexanoic acid ethyl ester |
Appearance |
Yellow solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C35H50N4O4 |
InChI |
InChI=1S/C35H50N4O4/c1-5-17-38-25-28(4)39(26-27(38)3)34(30-13-11-15-32(40)24-30)29-12-10-14-31(23-29)35(42)37-21-19-36(20-22-37)18-9-7-8-16-33(41)43-6-2/h5,10-15,23-24,27-28,34,40H,1,6-9,16-22,25-26H2,2-4H3/t27-,28+,34-/m1/s1 |
InChIKey |
FIQKFNFTNLHBLT-NKGGCWJSSA-N |
Ionization Type |
EI |
Molecular Weight |
590.809 g/mol |
SMILES |
Oc1cccc([C@@](c2cccc(C(N3CCN(CCCCCC(OCC)=O)CC3)=O)c2)(N2[C@](CN([C@@](C2)(C)[H])CC=C)(C)[H])[H])c1 |
SPLASH |
splash10-0udi-0900320000-a40169ebb71d98cc6872 |
Source of Spectrum |
CA2643677C |
Wiley ID |
1852589 |