Molecule ID: 65755

IUPAC Name: (6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Description: The molecule is a first-generation cephalosporin antibiotic having (1,3,4-thiadiazol-2-ylsulfanyl)methyl and [2-(1H-tetrazol-1-yl)acetamido side groups located at positions 3 and 7 respectively. It is a cephalosporin and a member of thiadiazoles.

SMILES: O=C(O)C1=C(CSc2nncs2)CS[C@@H]2[C@H](N=C(O)Cn3cnnn3)C(=O)N12

SELFIES: [O][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][S][C][=N][N][=C][S][Ring1][Branch1][C][S][C@@H1][C@H1][Branch1][=C][N][=C][Branch1][C][O][C][N][C][=N][N][=N][Ring1][Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch2][Ring1][=C]

InChI: InChI=1S/C13H12N8O4S3/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25)/t8-,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 235.0 Ų
- LogP: -0.7