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Details

Stereochemistry ABSOLUTE
Molecular Formula C43H79N3O13
Molecular Weight 846.0997
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TBUO-STE-GLU(AEEA-AEEA-OH)-OTBU

SMILES

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(O)=O)C(=O)OC(C)(C)C

InChI

InChIKey=YZUXNRZPWYRMGH-DHUJRADRSA-N
InChI=1S/C43H79N3O13/c1-42(2,3)58-40(52)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-37(48)46-35(41(53)59-43(4,5)6)23-24-36(47)44-25-27-54-29-31-56-33-38(49)45-26-28-55-30-32-57-34-39(50)51/h35H,7-34H2,1-6H3,(H,44,47)(H,45,49)(H,46,48)(H,50,51)/t35-/m0/s1

HIDE SMILES / InChI

Molecular Formula C43H79N3O13
Molecular Weight 846.0997
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:07:28 GMT 2023
Edited
by admin
on Sat Dec 16 18:07:28 GMT 2023
Record UNII
DVN2QPW6DR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TBUO-STE-GLU(AEEA-AEEA-OH)-OTBU
Common Name English
41-(1,1-DIMETHYLETHYL) (22S)-22-((1,1-DIMETHYLETHOXY)CARBONYL)-10,19,24-TRIOXO-3,6,12,15-TETRAOXA-9,18,23-TRIAZAHENTETRACONTANEDIOATE
Systematic Name English
3,6,12,15-TETRAOXA-9,18,23-TRIAZAHENTETRACONTANEDIOIC ACID, 22-((1,1-DIMETHYLETHOXY)CARBONYL)-10,19,24-TRIOXO-, 41-(1,1-DIMETHYLETHYL) ESTER, (22S)-
Systematic Name English
Code System Code Type Description
CAS
1118767-16-0
Created by admin on Sat Dec 16 18:07:28 GMT 2023 , Edited by admin on Sat Dec 16 18:07:28 GMT 2023
PRIMARY
FDA UNII
DVN2QPW6DR
Created by admin on Sat Dec 16 18:07:28 GMT 2023 , Edited by admin on Sat Dec 16 18:07:28 GMT 2023
PRIMARY
PUBCHEM
87275422
Created by admin on Sat Dec 16 18:07:28 GMT 2023 , Edited by admin on Sat Dec 16 18:07:28 GMT 2023
PRIMARY