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Tetrahydrolipstatin

CAS Registry Number®

96829-58-2

CAS Name

Tetrahydrolipstatin

Molecular Formula

C29H53NO5

Molecular Mass

495.73

Cite this Page

Tetrahydrolipstatin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96829-58-2 (retrieved 2024-11-22) (CAS RN: 96829-58-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    39-41 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1

InChIKey

InChIKey=AHLBNYSZXLDEJQ-FWEHEUNISA-N

SMILES

C([C@@H](OC([C@H](CC(C)C)NC=O)=O)CCCCCCCCCCC)[C@H]1[C@H](CCCCCC)C(=O)O1

Canonical SMILES

O=CNC(C(=O)OC(CCCCCCCCCCC)CC1OC(=O)C1CCCCCC)CC(C)C

Other Names for this Substance

  • L-Leucine, N-formyl-, (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester
  • L-Leucine, N-formyl-, 1-[(3-hexyl-4-oxo-2-oxetanyl)methyl]dodecyl ester, [2S-[2α(R*),3β]]-
  • Tetrahydrolipstatin
  • (-)-Tetrahydrolipstatin
  • Ro 18-0647/002

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Deleted or Replaced CAS Registry Numbers

111397-16-1, 1236363-36-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration