CAS Registry Number®
96829-58-2
CAS Name
Tetrahydrolipstatin
Molecular Formula
C29H53NO5
Molecular Mass
495.73
Compound Properties
-
Melting Point (1)
39-41 °C
Source(s)
- (1) Yadav, J. S.; Tetrahedron Letters, (2006), 47(26), 4393-4395, CAplus
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
- Orlistat
- Xenical
- Listata
- Alli
Deleted or Replaced CAS Registry Numbers
111397-16-1, 1236363-36-2