U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34N2O9
Molecular Weight 506.5455
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANTIMYCIN A4A

SMILES

CCCC[C@@H]1[C@@H](OC(=O)C(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)[C@@H](C)OC1=O

InChI

InChIKey=LJLBEVFUKYLRNR-UHRLKCEPSA-N
InChI=1S/C25H34N2O9/c1-6-7-9-17-21(36-23(31)13(2)3)15(5)35-25(33)19(14(4)34-24(17)32)27-22(30)16-10-8-11-18(20(16)29)26-12-28/h8,10-15,17,19,21,29H,6-7,9H2,1-5H3,(H,26,28)(H,27,30)/t14-,15+,17-,19+,21+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ANTIMYCIN A4A
Common Name English
SALICYLAMIDE, N-(7-BUTYL-8-HYDROXY-4,9-DIMETHYL-2,6-DIOXO-1,5-DIOXONAN-3-YL)-3-FORMAMIDO-, 8-ISOBUTYRATE
Systematic Name English
ISOBUTYRIC ACID, 8-ESTER WITH N-(7-BUTYL-8-HYDROXY-4,9-DIMETHYL-2,6-DIOXO-1,5-DIOXONAN-3-YL)-3-FORMAMIDOSALICYLAMIDE
Systematic Name English
PROPANOIC ACID, 2-METHYL-, (2R,3S,6S,7R,8R)-8-BUTYL-3-((3-(FORMYLAMINO)-2-HYDROXYBENZOYL)AMINO)-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL ESTER
Systematic Name English
Code System Code Type Description
CAS
28068-12-4
Created by admin on Sat Dec 16 08:10:37 UTC 2023 , Edited by admin on Sat Dec 16 08:10:37 UTC 2023
PRIMARY
PUBCHEM
10323928
Created by admin on Sat Dec 16 08:10:37 UTC 2023 , Edited by admin on Sat Dec 16 08:10:37 UTC 2023
PRIMARY
FDA UNII
3471OQ4074
Created by admin on Sat Dec 16 08:10:37 UTC 2023 , Edited by admin on Sat Dec 16 08:10:37 UTC 2023
PRIMARY