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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H38N2O9
Molecular Weight 534.5986
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANTIMYCIN A8A

SMILES

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

InChI

InChIKey=QPFFQZIETBZFRR-ZMAMPDHFSA-N
InChI=1S/C27H38N2O9/c1-7-15(4)25(33)38-23-17(6)37-27(35)21(16(5)36-26(34)19(23)12-11-14(2)3)29-24(32)18-9-8-10-20(22(18)31)28-13-30/h8-10,13-17,19,21,23,31H,7,11-12H2,1-6H3,(H,28,30)(H,29,32)/t15-,16+,17-,19+,21-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H38N2O9
Molecular Weight 534.5986
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:10:39 GMT 2023
Edited
by admin
on Sat Dec 16 08:10:39 GMT 2023
Record UNII
M87W85C1I5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANTIMYCIN A8A
Common Name English
BUTANOIC ACID, 2-METHYL-, 3-((3-(FORMYLAMINO)-2-HYDROXYBENZOYL)AMINO)-2,6-DIMETHYL-8-(3-METHYLBUTYL)-4,9-DIOXO-1,5-DIOXONAN-7-YL ESTER, (2R,3S,6S,7R,8R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
86278282
Created by admin on Sat Dec 16 08:10:39 GMT 2023 , Edited by admin on Sat Dec 16 08:10:39 GMT 2023
PRIMARY
FDA UNII
M87W85C1I5
Created by admin on Sat Dec 16 08:10:39 GMT 2023 , Edited by admin on Sat Dec 16 08:10:39 GMT 2023
PRIMARY
CAS
197791-90-5
Created by admin on Sat Dec 16 08:10:39 GMT 2023 , Edited by admin on Sat Dec 16 08:10:39 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY