U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C48H91N11O14
Molecular Weight 1046.3014
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 22-(acetyloxy)-N<SUP>1</SUP>,N<SUP>43</SUP>-bis(5-aminopentyl)-N<SUP>1</SUP>,N<SUP>43</SUP>-,11,33-tetrahydroxy-4,12,15,29,32,40-hexaoxo-5,11,16,22,28,33,39-heptaazatritetracontane-1,43-diamide

SMILES

CC(=O)ON(CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN

InChI

InChIKey=OJKQSOFXVQPPBC-UHFFFAOYSA-N
InChI=1S/C48H91N11O14/c1-40(60)73-55(34-14-4-10-30-51-41(61)22-26-47(67)58(71)38-18-6-12-32-53-43(63)20-24-45(65)56(69)36-16-2-8-28-49)35-15-5-11-31-52-42(62)23-27-48(68)59(72)39-19-7-13-33-54-44(64)21-25-46(66)57(70)37-17-3-9-29-50/h69-72H,2-39,49-50H2,1H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)

HIDE SMILES / InChI

Molecular Formula C48H91N11O14
Molecular Weight 1046.3014
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
3FCX5BLX8X
Record Status Validated (UNII)
Record Version