Molecule ID: 132274121

IUPAC Name: (2R,4S)-2-[(1R)-2-[[(5S)-5-amino-5-carboxypentyl]amino]-1-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]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 amoxicillin by the epsilon-amino group of the L-lysine molecule. It contains an amoxicilloyl group. It derives from an amoxicillin.

SMILES: CC1(C)S[C@H]([C@H](N=C(O)[C@H](N)c2ccc(O)cc2)C(O)=NCCCC[C@H](N)C(=O)O)N[C@H]1C(=O)O

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

InChI: InChI=1S/C22H33N5O7S/c1-22(2)16(21(33)34)27-19(35-22)15(18(30)25-10-4-3-5-13(23)20(31)32)26-17(29)14(24)11-6-8-12(28)9-7-11/h6-9,13-16,19,27-28H,3-5,10,23-24H2,1-2H3,(H,25,30)(H,26,29)(H,31,32)(H,33,34)/t13-,14+,15+,16-,19+/m0/s1

Molecular Properties:
- Polar Surface Area: 242.0 Ų
- LogP: -5.0