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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H16N4O4S
Molecular Weight 348.377
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANGUIBACTIN

SMILES

ON(CCC1=CN=CN1)C(=O)[C@@H]2CSC(=N2)C3=C(O)C(O)=CC=C3

InChI

InChIKey=GBKVAPJMXMGXJK-NSHDSACASA-N
InChI=1S/C15H16N4O4S/c20-12-3-1-2-10(13(12)21)14-18-11(7-24-14)15(22)19(23)5-4-9-6-16-8-17-9/h1-3,6,8,11,20-21,23H,4-5,7H2,(H,16,17)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H16N4O4S
Molecular Weight 348.377
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:14:41 GMT 2023
Edited
by admin
on Sat Dec 16 08:14:41 GMT 2023
Record UNII
6JLN182H8X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANGUIBACTIN
Common Name English
4-THIAZOLECARBOXAMIDE, 2-(2,3-DIHYDROXYPHENYL)-4,5-DIHYDRO-N-HYDROXY-N-(2-(1H-IMIDAZOL-4-YL)ETHYL)-, (4R)-
Systematic Name English
Code System Code Type Description
CAS
104245-09-2
Created by admin on Sat Dec 16 08:14:41 GMT 2023 , Edited by admin on Sat Dec 16 08:14:41 GMT 2023
PRIMARY
PUBCHEM
135565925
Created by admin on Sat Dec 16 08:14:41 GMT 2023 , Edited by admin on Sat Dec 16 08:14:41 GMT 2023
PRIMARY
FDA UNII
6JLN182H8X
Created by admin on Sat Dec 16 08:14:41 GMT 2023 , Edited by admin on Sat Dec 16 08:14:41 GMT 2023
PRIMARY