Molecule ID: 6915944

IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Description: The molecule is a cephalosporin compound having 7beta-2-(2-amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino- and 3-vinyl side groups. It has a role as an antibacterial drug. It is a cephalosporin and a ketoxime.

SMILES: C=CC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)/C(=N\O)c3csc(=N)[nH]3)[C@H]2SC1

SELFIES: [C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch1][N][=C][Branch1][C][O][/C][=Branch1][Ring1][=N][\O][C][=C][S][C][=Branch1][C][=N][NH1][Ring1][=Branch1][C@H1][Ring1][P][S][C][Ring2][Ring1][Branch2]

InChI: InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1

Molecular Properties:
- Polar Surface Area: 212.0 Ų
- LogP: 0.0