U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C75H130N12O40
Molecular Weight 1839.8911
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-?-aspartic acid modification of FcIII-GN3

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)(COCCC(=O)NCCOCCOCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)NC(=O)CNC(=O)COCCOCCOCCN4C=C(CCCC(=O)N[C@@H](CC(O)=O)C(O)=O)N=N4

InChI

InChIKey=UJRNGGUEUYDRHR-QEARKKNCSA-N
InChI=1S/C75H130N12O40/c1-47(91)80-62-68(105)65(102)52(40-88)125-72(62)122-34-31-115-25-21-110-17-10-76-55(94)7-14-119-44-75(45-120-15-8-56(95)77-11-18-111-22-26-116-32-35-123-73-63(81-48(2)92)69(106)66(103)53(41-89)126-73,46-121-16-9-57(96)78-12-19-112-23-27-117-33-36-124-74-64(82-49(3)93)70(107)67(104)54(42-90)127-74)84-59(98)38-79-60(99)43-118-30-29-114-28-24-113-20-13-87-39-50(85-86-87)5-4-6-58(97)83-51(71(108)109)37-61(100)101/h39,51-54,62-70,72-74,88-90,102-107H,4-38,40-46H2,1-3H3,(H,76,94)(H,77,95)(H,78,96)(H,79,99)(H,80,91)(H,81,92)(H,82,93)(H,83,97)(H,84,98)(H,100,101)(H,108,109)/t51-,52+,53+,54+,62+,63+,64+,65-,66-,67-,68+,69+,70+,72+,73+,74+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-[4-[1-[30-[[2-(acetylamino)-2-deoxy-?-D-galactopyranosyl]oxy]-16,16-bis[14-[[2-(acetylamino)-2-deoxy-?-D-galactopyranosyl]oxy]-5-oxo-2,9,12-trioxa-6-azatetradec-1-yl]-11,14,21-trioxo-3,6,9,18,25,28-hexaoxa-12,15,22-triazatriacont-1-yl]-1H-1,2,3-triazol
Preferred Name English
L-?-aspartic acid modification of FcIII-GN3
Common Name English
Code System Code Type Description
FDA UNII
U7D4R5GV7W
Created by admin on Wed Apr 02 20:24:56 GMT 2025 , Edited by admin on Wed Apr 02 20:24:56 GMT 2025
PRIMARY
PUBCHEM
171390234
Created by admin on Wed Apr 02 20:24:56 GMT 2025 , Edited by admin on Wed Apr 02 20:24:56 GMT 2025
PRIMARY