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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18N2O9S2
Molecular Weight 422.431
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CARPETIMYCIN B

SMILES

[H][C@]12CC([S@+]([O-])\C=C\NC(C)=O)=C(N1C(=O)[C@H]2C(C)(C)OS(O)(=O)=O)C(O)=O

InChI

InChIKey=GOODEIVATWULQD-CWYJLJPQSA-N
InChI=1S/C14H18N2O9S2/c1-7(17)15-4-5-26(21)9-6-8-10(14(2,3)25-27(22,23)24)12(18)16(8)11(9)13(19)20/h4-5,8,10H,6H2,1-3H3,(H,15,17)(H,19,20)(H,22,23,24)/b5-4+/t8-,10+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H18N2O9S2
Molecular Weight 422.431
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:50:37 GMT 2023
Edited
by admin
on Sat Dec 16 08:50:37 GMT 2023
Record UNII
QFI6710Y76
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARPETIMYCIN B
MI  
Common Name English
CARPETIMYCIN B [MI]
Common Name English
ANTIBIOTIC C-19393-S2
Code English
1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 3-((R)-((1E)-2-(ACETYLAMINO)ETHENYL)SULFINYL)-6-(1-METHYL-1-(SULFOOXY)ETHYL)-7-OXO-, (5R,6R)-
Systematic Name English
C-19393-S2
Code English
ANTIBIOTIC KA-6643-B
Code English
Code System Code Type Description
CAS
76094-36-5
Created by admin on Sat Dec 16 08:50:37 GMT 2023 , Edited by admin on Sat Dec 16 08:50:37 GMT 2023
PRIMARY
PUBCHEM
9578310
Created by admin on Sat Dec 16 08:50:37 GMT 2023 , Edited by admin on Sat Dec 16 08:50:37 GMT 2023
PRIMARY
FDA UNII
QFI6710Y76
Created by admin on Sat Dec 16 08:50:37 GMT 2023 , Edited by admin on Sat Dec 16 08:50:37 GMT 2023
PRIMARY
MERCK INDEX
m3131
Created by admin on Sat Dec 16 08:50:37 GMT 2023 , Edited by admin on Sat Dec 16 08:50:37 GMT 2023
PRIMARY Merck Index