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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H43N3O9
Molecular Weight 601.6878
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 17-(3'-HYDROXYALLYLAMINO)-GELDANAMYCIN

SMILES

CO[C@H]1C[C@H](C)CC2=C(N\C=C\CO)C(=O)C=C(NC(=O)\C(C)=C\C=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O

InChI

InChIKey=KWNOVTBGIDTVQF-KWIRGGAKSA-N
InChI=1S/C31H43N3O9/c1-17-13-21-26(33-11-8-12-35)23(36)16-22(28(21)38)34-30(39)18(2)9-7-10-24(41-5)29(43-31(32)40)20(4)15-19(3)27(37)25(14-17)42-6/h7-11,15-17,19,24-25,27,29,33,35,37H,12-14H2,1-6H3,(H2,32,40)(H,34,39)/b10-7-,11-8+,18-9+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H43N3O9
Molecular Weight 601.6878
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:35:36 GMT 2023
Edited
by admin
on Sat Dec 16 16:35:36 GMT 2023
Record UNII
42FTS55HB8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-(3'-HYDROXYALLYLAMINO)-GELDANAMYCIN
Common Name English
17AAG METABOLITE M7
Common Name English
Code System Code Type Description
PUBCHEM
154584886
Created by admin on Sat Dec 16 16:35:36 GMT 2023 , Edited by admin on Sat Dec 16 16:35:36 GMT 2023
PRIMARY
FDA UNII
42FTS55HB8
Created by admin on Sat Dec 16 16:35:36 GMT 2023 , Edited by admin on Sat Dec 16 16:35:36 GMT 2023
PRIMARY
Related Record Type Details
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