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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 A4B

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
ANTIMYCIN A4B
Common Name English
BUTANOIC ACID, 8-BUTYL-3-((3-(FORMYLAMINO)-2-HYDROXYBENZOYL)AMINO)-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL ESTER, (2R,3S,6S,7R,8R)-
Systematic Name English
BUTANOIC ACID, 8-BUTYL-3-((3-(FORMYLAMINO)-2-HYDROXYBENZOYL)AMINO)-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL ESTER, (2R-(2R*,3S*,6S*,7R*,8R*))-
Systematic Name English
Code System Code Type Description
CAS
117603-45-9
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
11755913
Created by admin on Sat Dec 16 08:10:38 UTC 2023 , Edited by admin on Sat Dec 16 08:10:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID10151835
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
WD7Q41KD4C
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