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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18ClN3O4S2
Molecular Weight 451.947
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(3-P-CHLOROPHENYL-5-METHYLISOTHIAZOLYL-4-CARBOXAMIDO)PENICILLIN

SMILES

CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NS1)C4=CC=C(Cl)C=C4

InChI

InChIKey=YBANJJPNNMVEMA-JKIFEVAISA-N
InChI=1S/C19H18ClN3O4S2/c1-8-11(12(22-29-8)9-4-6-10(20)7-5-9)15(24)21-13-16(25)23-14(18(26)27)19(2,3)28-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H18ClN3O4S2
Molecular Weight 451.947
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

Substance Class Chemical
Record UNII
6L3HFN9AJF
Record Status Validated (UNII)
Record Version