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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H46N4O8
Molecular Weight 614.7296
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 17-DEMETHOXY-17-((E)-(2-(DIMETHYLAMINO)ETHYLIDENE)AMINO) GELDANAMYCIN

SMILES

CO[C@H]1C[C@H](C)CC2=C(\N=C\CN(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=UFHFXFGYYAHGIY-OKSFYDSZSA-N
InChI=1S/C32H46N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-12,16-18,20,25-26,28,30,38H,13-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+,34-12+/t18-,20+,25+,26+,28-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H46N4O8
Molecular Weight 614.7296
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 15:31:21 GMT 2023
Edited
by admin
on Sat Dec 16 15:31:21 GMT 2023
Record UNII
B4YTD38LKZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-DEMETHOXY-17-((E)-(2-(DIMETHYLAMINO)ETHYLIDENE)AMINO) GELDANAMYCIN
Common Name English
GELDANAMYCIN, 17-DEMETHOXY-17-((E)-(2-(DIMETHYLAMINO)ETHYLIDENE)AMINO)-
Systematic Name English
17-DMAG METABOLITE M5
Common Name English
Code System Code Type Description
CAS
1353249-46-3
Created by admin on Sat Dec 16 15:31:22 GMT 2023 , Edited by admin on Sat Dec 16 15:31:22 GMT 2023
PRIMARY
FDA UNII
B4YTD38LKZ
Created by admin on Sat Dec 16 15:31:22 GMT 2023 , Edited by admin on Sat Dec 16 15:31:22 GMT 2023
PRIMARY
Related Record Type Details
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