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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20N4O4S3
Molecular Weight 428.549
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEFAZOLIN PIVALOYL

SMILES

[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)C(C)(C)C)C(O)=O

InChI

InChIKey=PYQNLAKCAGCVKA-BXKDBHETSA-N
InChI=1S/C16H20N4O4S3/c1-7-18-19-15(27-7)26-6-8-5-25-12-9(17-14(24)16(2,3)4)11(21)20(12)10(8)13(22)23/h9,12H,5-6H2,1-4H3,(H,17,24)(H,22,23)/t9-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H20N4O4S3
Molecular Weight 428.549
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
705J53S4IH
Record Status Validated (UNII)
Record Version