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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H41N3O8
Molecular Weight 583.6725
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 17-(DIDEHYDROALLYLAMINO)-GELDANAMYCIN

SMILES

CO[C@H]1C[C@H](C)CC2=C(\N=C\C=C)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=FDVZRIRAAXWDOH-FKXVNBLBSA-N
InChI=1S/C31H41N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,36H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+,33-12+/t17-,19+,24+,25+,27-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H41N3O8
Molecular Weight 583.6725
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 15:55:39 GMT 2023
Edited
by admin
on Sat Dec 16 15:55:39 GMT 2023
Record UNII
L3Q8OD1B0Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-(DIDEHYDROALLYLAMINO)-GELDANAMYCIN
Common Name English
17AAG METABOLITE M6
Common Name English
((3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-((E)-ALLYLIDENEAMINO)-6-HYDROXY-5,11-DIMETHOXY-3,7,9,15-TETRAMETHYL-16,20,22-TRIOXO-17-AZABICYCLO(16.3.1)DOCOSA-1(21),8,12,14,18-PENTAEN-10-YL) CARBAMATE
Systematic Name English
Code System Code Type Description
FDA UNII
L3Q8OD1B0Z
Created by admin on Sat Dec 16 15:55:39 GMT 2023 , Edited by admin on Sat Dec 16 15:55:39 GMT 2023
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Related Record Type Details
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