GalNAc

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C117H175N11O42
Molecular Weight	2407.6899
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C=C1)C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCCCCCCC(=O)NC(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4NC(C)=O)COCCC(=O)NCCCNC(=O)CCCCO[C@@H]5O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5NC(C)=O)(C6=CC=CC=C6)C7=CC=C(OC)C=C7

InChI

InChIKey=GGDUVQWHSIEKKC-LJNDWZPRSA-N

InChI=1S/C117H175N11O42/c1-74(129)124-104-110(165-83(10)138)107(162-80(7)135)93(68-158-77(4)132)168-113(104)155-59-29-26-37-96(142)118-53-32-56-121-99(145)50-62-152-71-116(72-153-63-51-100(146)122-57-33-54-119-97(143)38-27-30-60-156-114-105(125-75(2)130)111(166-84(11)139)108(163-81(8)136)94(169-114)69-159-78(5)133,73-154-64-52-101(147)123-58-34-55-120-98(144)39-28-31-61-157-115-106(126-76(3)131)112(167-85(12)140)109(164-82(9)137)95(170-115)70-160-79(6)134)127-102(148)40-24-19-17-15-16-18-20-25-41-103(149)128-66-90(141)65-89(128)67-161-117(86-35-22-21-23-36-86,87-42-46-91(150-13)47-43-87)88-44-48-92(151-14)49-45-88/h21-23,35-36,42-49,89-90,93-95,104-115,141H,15-20,24-34,37-41,50-73H2,1-14H3,(H,118,142)(H,119,143)(H,120,144)(H,121,145)(H,122,146)(H,123,147)(H,124,129)(H,125,130)(H,126,131)(H,127,148)/t89-,90+,93+,94+,95+,104+,105+,106+,107-,108-,109-,110+,111+,112+,113+,114+,115+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C117H175N11O42
Molecular Weight	2407.6899
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	17 / 17
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:20:55 GMT 2023` Edited by `admin` on `Sat Dec 16 20:20:55 GMT 2023`
Record UNII	UB9W7AAT82
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GalNAc

Common Name

English

(2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-N-[2-[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]-1,1-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acet

Systematic Name

English

1-Pyrrolidinedodecanamide, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-N-[2-[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]-1,1-bis[[3-oxo-3-[[3-[[1-oxo-5

Systematic Name

English

Code System Code Type Description

FDA UNII

UB9W7AAT82

Created by admin on Sat Dec 16 20:20:55 GMT 2023 , Edited by admin on Sat Dec 16 20:20:55 GMT 2023

PRIMARY

PUBCHEM

162394060

Created by admin on Sat Dec 16 20:20:55 GMT 2023 , Edited by admin on Sat Dec 16 20:20:55 GMT 2023

PRIMARY

CAS

1159408-72-6

Created by admin on Sat Dec 16 20:20:55 GMT 2023 , Edited by admin on Sat Dec 16 20:20:55 GMT 2023

PRIMARY