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3-[2-N-(tert-butoxycarbonyl-prolylvalyloxy)-4,6-dimethylphenyl]-3,3-dimethylpropionic Acid
SpectraBase Compound ID zF2zQfe2hX
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
Mol Weight 518.7 g/mol
Molecular Formula C28H42N2O7
Exact Mass 518.299202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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