17-(DIDEHYDROALLYLAMINO)-GELDANAMYCIN

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

Structure Search

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 `Wed Apr 02 06:56:12 GMT 2025` Edited by `admin` on `Wed Apr 02 06:56:12 GMT 2025`
Record UNII	L3Q8OD1B0Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

17-(DIDEHYDROALLYLAMINO)-GELDANAMYCIN

Common Name

English

17AAG METABOLITE M6

Preferred 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 Wed Apr 02 06:56:12 GMT 2025 , Edited by admin on Wed Apr 02 06:56:12 GMT 2025

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