L-Leucine, O5-(N-formyl-L-leucyl)-(2S,3S,5S)-2-hexyl-3,5-dihydroxyhexadecanoyl-, (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C57H106N2O9
Molecular Weight	963.4595
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of L-Leucine, O5-(N-formyl-L-leucyl)-(2S,3S,5S)-2-hexyl-3,5-dihydroxyhexadecanoyl-, (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester

Structure Search

SMILES

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

InChI

InChIKey=NVVMPRANOWJTRG-GAYSTJMUSA-N

InChI=1S/C57H106N2O9/c1-9-13-17-21-23-25-27-29-31-35-46(66-56(64)50(58-43-60)39-44(5)6)41-52(61)48(37-33-19-15-11-3)54(62)59-51(40-45(7)8)57(65)67-47(36-32-30-28-26-24-22-18-14-10-2)42-53-49(55(63)68-53)38-34-20-16-12-4/h43-53,61H,9-42H2,1-8H3,(H,58,60)(H,59,62)/t46-,47-,48-,49-,50-,51-,52-,53-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C57H106N2O9
Molecular Weight	963.4595
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:20:53 GMT 2025` Edited by `admin` on `Wed Apr 02 17:20:53 GMT 2025`
Record UNII	B2SHK4HZF5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-Leucine, O5-(N-formyl-L-leucyl)-(2S,3S,5S)-2-hexyl-3,5-dihydroxyhexadecanoyl-, (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester

Systematic Name

English

[(7S,8S,10S)-7-[[(2S)-1-[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl]oxy-4-methyl-1-oxopentan-2-yl]carbamoyl]-8-hydroxyhenicosan-10-yl] (2S)-2-formamido-4-methylpentanoate

Preferred Name

English

Code System Code Type Description

CAS

881900-54-5

Created by admin on Wed Apr 02 17:20:53 GMT 2025 , Edited by admin on Wed Apr 02 17:20:53 GMT 2025

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PUBCHEM

131886561

Created by admin on Wed Apr 02 17:20:53 GMT 2025 , Edited by admin on Wed Apr 02 17:20:53 GMT 2025

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EPA CompTox

DTXSID30858258

Created by admin on Wed Apr 02 17:20:53 GMT 2025 , Edited by admin on Wed Apr 02 17:20:53 GMT 2025

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FDA UNII

B2SHK4HZF5

Created by admin on Wed Apr 02 17:20:53 GMT 2025 , Edited by admin on Wed Apr 02 17:20:53 GMT 2025

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