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Details

Stereochemistry ABSOLUTE
Molecular Formula C61H89NO17S2
Molecular Weight 1172.486
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BMS-184000 FREE ACID

SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H](OC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C3=CC=CC=C3)[C@H](OC(=O)C4=CC=CC=C4)\C=C\CCCCCCCCCCCCC

InChI

InChIKey=KGGFXHSFENXTQZ-DGSYIIQASA-N
InChI=1S/C61H89NO17S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-44-52(75-58(64)48-38-30-27-31-39-48)51(62-54(63)45-37-26-24-22-20-18-16-14-12-10-8-6-4-2)46-73-61-57(78-60(66)50-42-34-29-35-43-50)56(77-59(65)49-40-32-28-33-41-49)55(79-81(70,71)72)53(76-61)47-74-80(67,68)69/h27-36,38-44,51-53,55-57,61H,3-26,37,45-47H2,1-2H3,(H,62,63)(H,67,68,69)(H,70,71,72)/b44-36+/t51-,52+,53+,55-,56-,57+,61-/m0/s1

HIDE SMILES / InChI

Molecular Formula C61H89NO17S2
Molecular Weight 1172.486
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:08:20 GMT 2023
Edited
by admin
on Sat Dec 16 11:08:20 GMT 2023
Record UNII
436893AX8C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-184000 FREE ACID
Common Name English
HEXADECANAMIDE, N-((1S,2R,3E)-2-(BENZOYLOXY)-1-(((2,3-DI-O-BENZOYL-4,6-DI-O-SULFO-.ALPHA.-D-GALACTOPYRANOSYL)OXY)METHYL)-3-HEPTADECEN-1-YL)-
Systematic Name English
HEXADECANAMIDE, N-((1S,2R,3E)-2-(BENZOYLOXY)-1-(((2,3-DI-O-BENZOYL-4,6-DI-O-SULFO-.ALPHA.-D-GALACTOPYRANOSYL)OXY)METHYL)-3-HEPTADECENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
436893AX8C
Created by admin on Sat Dec 16 11:08:20 GMT 2023 , Edited by admin on Sat Dec 16 11:08:20 GMT 2023
PRIMARY
CAS
758662-75-8
Created by admin on Sat Dec 16 11:08:20 GMT 2023 , Edited by admin on Sat Dec 16 11:08:20 GMT 2023
PRIMARY
PUBCHEM
72941729
Created by admin on Sat Dec 16 11:08:20 GMT 2023 , Edited by admin on Sat Dec 16 11:08:20 GMT 2023
PRIMARY
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ACTIVE MOIETY