SpectraBase Spectrum ID |
6AxipICLH7Z |
Name |
3-[2-N-(tert-butoxycarbonyl-prolylvalyloxy)-4,6-dimethylphenyl]-3,3-dimethylpropionic Acid |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C28H42N2O7 |
InChI |
InChI=1S/C28H42N2O7/c1-16(2)23(29-24(33)19-11-10-12-30(19)26(35)37-27(5,6)7)25(34)36-20-14-17(3)13-18(4)22(20)28(8,9)15-21(31)32/h13-14,16,19,23H,10-12,15H2,1-9H3,(H,29,33)(H,31,32)/t19-,23-/m0/s1 |
InChIKey |
RTQOKLPHSCWPDK-CVDCTZTESA-N |
Molecular Weight |
518.651 g/mol |
SMILES |
N([C@](C(Oc1cc(cc(c1C(CC(=O)O)(C)C)C)C)=O)(C(C)C)[H])C([C@@]1(CCCN1C(OC(C)(C)C)=O)[H])=O |
SPLASH |
splash10-022c-5390000000-9905ef0fc0668dc94b1f |
Source of Spectrum |
APP-334-214-8f |
Synonyms |
3-(2-(((S)-2-((S)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxamido)-3-methylbutanoyl)oxy)-4,6-dimethylphenyl)-3-methylbutanoic acid |
Wiley ID |
1770568 |