N-Deformyl-N-pivaloyl Orlistat

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

Structure Search

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 `Wed Apr 02 17:54:39 GMT 2025` Edited by `admin` on `Wed Apr 02 17:54:39 GMT 2025`
Record UNII	Y83TG8RTW6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-Leucine, N-(2,2-dimethyl-1-oxopropyl)-, (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester

Preferred Name

English

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

[(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

EPA CompTox

DTXSID70724524

Created by admin on Wed Apr 02 17:54:39 GMT 2025 , Edited by admin on Wed Apr 02 17:54:39 GMT 2025

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CAS

1356017-35-0

Created by admin on Wed Apr 02 17:54:39 GMT 2025 , Edited by admin on Wed Apr 02 17:54:39 GMT 2025

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FDA UNII

Y83TG8RTW6

Created by admin on Wed Apr 02 17:54:39 GMT 2025 , Edited by admin on Wed Apr 02 17:54:39 GMT 2025

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PUBCHEM

57369327

Created by admin on Wed Apr 02 17:54:39 GMT 2025 , Edited by admin on Wed Apr 02 17:54:39 GMT 2025

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