Molecule ID: 45259181

IUPAC Name: (2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of 6-formamidopenicillanic acid, formed by proton loss from the carboxy group. It is a penamcarboxylate and a monocarboxylic acid anion. It is a conjugate base of a 6-formamidopenicillanic acid.

SMILES: CC1(C)S[C@@H]2[C@H](N=C[O-])C(=O)N2[C@H]1C(=O)O

SELFIES: [C][C][Branch1][C][C][S][C@@H1][C@H1][Branch1][Ring2][N][=C][O-1][C][=Branch1][C][=O][N][Ring1][Branch2][C@H1][Ring1][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H12N2O4S/c1-9(2)5(8(14)15)11-6(13)4(10-3-12)7(11)16-9/h3-5,7H,1-2H3,(H,10,12)(H,14,15)/p-1/t4-,5+,7-/m1/s1

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: 1.1