LAPRETOLIMOD

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C96H181N2O22P
Molecular Weight	1746.4383
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

InChI

InChIKey=JSNQJZJCKAFSHT-OPYGSFAOSA-N

InChI=1S/C96H181N2O22P/c1-7-13-19-25-31-37-39-45-51-57-63-69-85(104)114-79(67-61-55-49-43-35-29-23-17-11-5)73-84(103)98-90-94(119-88(107)74-80(68-62-56-50-44-36-30-24-18-12-6)115-86(105)70-64-58-52-46-40-38-32-26-20-14-8-2)92(120-121(110,111)112)81(75-99)117-96(90)113-76-82-91(108)93(118-87(106)72-78(101)66-60-54-48-42-34-28-22-16-10-4)89(95(109)116-82)97-83(102)71-77(100)65-59-53-47-41-33-27-21-15-9-3/h77-82,89-96,99-101,108-109H,7-76H2,1-6H3,(H,97,102)(H,98,103)(H2,110,111,112)/t77-,78-,79-,80-,81-,82-,89-,90-,91-,92-,93-,94-,95+,96-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C96H181N2O22P
Molecular Weight	1746.4383
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:48:06 GMT 2023` Edited by `admin` on `Sat Dec 16 14:48:06 GMT 2023`
Record UNII	6CY69F2AH3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LAPRETOLIMOD

Official Name

English

.ALPHA.-D-GLUCOPYRANOSE, 2-DEOXY-6-O-(2-DEOXY-3-O-((3R)-1-OXO-3-((1-OXOTETRADECYL)OXY)TETRADECYL)-2-(((3R)-1-OXO-3-((1-OXOTETRADECYL)OXY)TETRADECYL)AMINO)-4-O-PHOSPHONO-.BETA.-D-GLUCOPYRANOSYL)-2-(((3R)-3-HYDROXY-1-OXOTETRADECYL)AMINO)-, 3-((3R)-3-HYDROX

Systematic Name

English

2-DEOXY-6-O-(2-DEOXY-4-O-PHOSPHONO-2-((3R)-3-(TETRADECANOYLOXY)TETRADECANAMIDO)-3-O-((3R)-3-(TETRADECANOYLOXY)TETRADECANOYL)-.BETA.-D-GLUCOPYRANOSYL)-2-((3R)-3-HYDROXYTETRADECANAMIDO)-.ALPHA.-D-GLUCOPYRANOSE 3-((3R)-3-HYDROXYTETRADECANOATE) IMMUNOMODULAT

Systematic Name

English

lapretolimod [INN]

Common Name

English

Code System Code Type Description

INN

10985