| SpectraBase Spectrum ID |
GhVKJ3mF7H8 |
| Name |
(2S,3R,.alpha.R)-N-(.alpha.-phenylethyl)-2,3-bis(3,4-dimethoxybenzyl)butanedioic acid monoamide |
| Alternate Name(s) |
(2S,3R)-2,3-bis(3,4-dimethoxybenzyl)-4-oxo-4-{[(1R)-1-phenylethyl]amino}butanoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H35NO7 |
| InChI |
InChI=1S/C30H35NO7/c1-19(22-9-7-6-8-10-22)31-29(32)23(15-20-11-13-25(35-2)27(17-20)37-4)24(30(33)34)16-21-12-14-26(36-3)28(18-21)38-5/h6-14,17-19,23-24H,15-16H2,1-5H3,(H,31,32)(H,33,34)/t19-,23-,24+/m1/s1 |
| InChIKey |
CGCXYMCZTSMESC-FOVJLYNBSA-N |
| Molecular Weight |
521.610 g/mol |
| SMILES |
OC([C@]([C@](C(N[C@@](c1ccccc1)(C)[H])=O)(Cc1cc(OC)c(cc1)OC)[H])(Cc1cc(OC)c(cc1)OC)[H])=O |
| SPLASH |
splash10-0udi-0900000000-fec05dc8f0ffb649ca99 |
| Source of Spectrum |
F-52-12810-14 |
| Wiley ID |
799030 |
