| SpectraBase Spectrum ID |
DHoYwzfqwvu |
| Name |
N-Acetyl-3-(3-hydroxymethyl-4-methoxyphenyl)-l-alanine isopropyl ester |
| Alternate Name(s) |
(2S)-2-acetamido-3-(4-methoxy-3-methylol-phenyl)propionic acid isopropyl ester
(2S)-2-acetamido-3-[3-(hydroxymethyl)-4-methoxyphenyl]propanoic acid propan-2-yl ester
isopropyl (2S)-2-acetamido-3-[3-(hydroxymethyl)-4-methoxy-phenyl]propanoate
Propan-2-yl (2S)-2-acetamido-3-[3-(hydroxymethyl)-4-methoxy-phenyl]propanoate |
| CAS Registry Number |
16825-26-6 |
| Comments |
Edited after expert review for CHCl3 contamination - Original record with SpectrumID 1310603 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H23NO5 |
| InChI |
InChI=1S/C16H23NO5/c1-10(2)22-16(20)14(17-11(3)19)8-12-5-6-15(21-4)13(7-12)9-18/h5-7,10,14,18H,8-9H2,1-4H3,(H,17,19)/t14-/m0/s1 |
| InChIKey |
CVVZFVCUUKLKRF-AWEZNQCLSA-N |
| Molecular Weight |
309.362 g/mol |
| SMILES |
N([C@@](Cc1cc(CO)c(cc1)OC)(C(OC(C)C)=O)[H])C(=O)C |
| SPLASH |
splash10-0udi-4940000000-5b8472ac28741f607c42 |
| Source of Spectrum |
W5-1989-38264-27272 |
| Wiley ID |
1821419 |
