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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H12N2O4S
Molecular Weight 244.268
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-FORMAMIDOPENICILLANIC ACID

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC=O)C(O)=O

InChI

InChIKey=MDQGTDMBVJCTBN-JCGDXUMPSA-N
InChI=1S/C9H12N2O4S/c1-9(2)5(8(14)15)11-6(13)4(10-3-12)7(11)16-9/h3-5,7H,1-2H3,(H,10,12)(H,14,15)/t4-,5+,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H12N2O4S
Molecular Weight 244.268
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
2TC14ZH3A5
Record Status Validated (UNII)
Record Version