Molecule ID: 6537446

IUPAC Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Description: The molecule is a fourth-generation cephalosporin antibiotic having (4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively. It is a cephalosporin and a member of thiadiazoles.

SMILES: CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]34CCC(C(=N)[O-])(CC3)CC4)CS[C@H]12)c1nc(=N)s[nH]1

SELFIES: [C][O][/N][=C][Branch2][Branch1][#Branch1][\C][Branch1][C][O][=N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][#Branch1][C][N+1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=N][O-1][Branch1][Branch1][C][C][Ring1][=Branch2][C][C][Ring1][O][C][S][C@H1][Ring2][Ring1][Branch2][Ring2][Ring1][Branch1][C][=N][C][=Branch1][C][=N][S][NH1][Ring1][=Branch1]

InChI: InChI=1S/C21H26N8O6S2/c1-35-26-11(14-25-20(23)37-27-14)15(30)24-12-16(31)28-13(18(32)33)10(9-36-17(12)28)8-29-5-2-21(3-6-29,4-7-29)19(22)34/h12,17H,2-9H2,1H3,(H5-,22,23,24,25,27,30,32,33,34)/b26-11-/t12-,17-,21?,29?/m1/s1

Molecular Properties:
- Polar Surface Area: 260.0 Ų
- LogP: -1.4