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Details

Stereochemistry EPIMERIC
Molecular Formula C16H18N2O7S2
Molecular Weight 414.453
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEMOCILLIN

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@]2(NC(=O)C(C(O)=O)C3=CSC=C3)OC)C(O)=O

InChI

InChIKey=BVCKFLJARNKCSS-DWPRYXJFSA-N
InChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8?,9-,14+,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H18N2O7S2
Molecular Weight 414.453
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
03QB156W6I
Record Status Validated (UNII)
Record Version