Molecule ID: 132274120

IUPAC Name: (2R,4S)-2-[(1R)-2-[[(5S)-5-amino-5-carboxypentyl]amino]-1-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Description: The molecule is an L-lysine derivative obtained from nucleophilic cleavage of the beta-lactam ring of flucloxacillin by the epsilon-amino group of the L-lysine molecule. It contains a flucloxacilloyl group. It derives from a flucloxacillin.

SMILES: Cc1onc(-c2c(F)cccc2Cl)c1C(O)=N[C@H](C(O)=NCCCC[C@H](N)C(=O)O)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1

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

InChI: InChI=1S/C25H31ClFN5O7S/c1-11-15(17(32-39-11)16-12(26)7-6-8-13(16)27)20(33)30-18(22-31-19(24(37)38)25(2,3)40-22)21(34)29-10-5-4-9-14(28)23(35)36/h6-8,14,18-19,22,31H,4-5,9-10,28H2,1-3H3,(H,29,34)(H,30,33)(H,35,36)(H,37,38)/t14-,18+,19-,22+/m0/s1

Molecular Properties:
- Polar Surface Area: 222.0 Ų
- LogP: -2.6