N-Deformyl-N-benzyloxycarbonyl Orlistat

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H59NO6
Molecular Weight	601.8568
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-Deformyl-N-benzyloxycarbonyl Orlistat

Structure Search

SMILES

CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChIKey=OITCZADOYPEICM-YRCZKMHPSA-N

InChI=1S/C36H59NO6/c1-5-7-9-11-12-13-14-15-19-23-30(26-33-31(34(38)43-33)24-20-10-8-6-2)42-35(39)32(25-28(3)4)37-36(40)41-27-29-21-17-16-18-22-29/h16-18,21-22,28,30-33H,5-15,19-20,23-27H2,1-4H3,(H,37,40)/t30-,31-,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H59NO6
Molecular Weight	601.8568
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 17:17:35 GMT 2025` Edited by `admin` on `Wed Apr 02 17:17:35 GMT 2025`
Record UNII	J6N933N3XE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3S,4S)-3-Hexyl-4-[(2S)-2-[[(2S)-4-methyl-2-(benzyloxycarbonylamino)pentanoyl]oxy]tridecyl]oxetan-2-one

Preferred Name

English

N-Deformyl-N-benzyloxycarbonyl Orlistat

Common Name

English

N-[(Phenylmethoxy)carbonyl]-L-leucine (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester

Systematic Name

English

L-Leucine, N-[(phenylmethoxy)carbonyl]-, 1-[(3-hexyl-4-oxo-2-oxetanyl)methyl]dodecyl ester, [2S-[2?(R*),3?]]

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

14847017

Created by admin on Wed Apr 02 17:17:35 GMT 2025 , Edited by admin on Wed Apr 02 17:17:35 GMT 2025

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CAS

108051-94-1

Created by admin on Wed Apr 02 17:17:35 GMT 2025 , Edited by admin on Wed Apr 02 17:17:35 GMT 2025

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EPA CompTox

DTXSID30564645

Created by admin on Wed Apr 02 17:17:35 GMT 2025 , Edited by admin on Wed Apr 02 17:17:35 GMT 2025

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FDA UNII

J6N933N3XE

Created by admin on Wed Apr 02 17:17:35 GMT 2025 , Edited by admin on Wed Apr 02 17:17:35 GMT 2025

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