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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H61NO5
Molecular Weight 551.8411
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Deformyl-N-pivaloyl Orlistat

SMILES

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

InChI

InChIKey=PLHDTUBQYZYQMS-DZUOILHNSA-N
InChI=1S/C33H61NO5/c1-8-10-12-14-15-16-17-18-19-21-26(24-29-27(30(35)39-29)22-20-13-11-9-2)38-31(36)28(23-25(3)4)34-32(37)33(5,6)7/h25-29H,8-24H2,1-7H3,(H,34,37)/t26-,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H61NO5
Molecular Weight 551.8411
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:57:56 GMT 2023
Edited
by admin
on Sat Dec 16 19:57:56 GMT 2023
Record UNII
Y83TG8RTW6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-Deformyl-N-pivaloyl Orlistat
Common Name English
N-(2,2-Dimethyl-1-oxopropyl)-L-leucine (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester
Systematic Name English
L-Leucine, N-(2,2-dimethyl-1-oxopropyl)-, (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester
Systematic Name English
[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoate
Systematic Name English
Code System Code Type Description
CAS
1356017-35-0
Created by admin on Sat Dec 16 19:57:56 GMT 2023 , Edited by admin on Sat Dec 16 19:57:56 GMT 2023
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FDA UNII
Y83TG8RTW6
Created by admin on Sat Dec 16 19:57:56 GMT 2023 , Edited by admin on Sat Dec 16 19:57:56 GMT 2023
PRIMARY
PUBCHEM
57369327
Created by admin on Sat Dec 16 19:57:56 GMT 2023 , Edited by admin on Sat Dec 16 19:57:56 GMT 2023
PRIMARY