Molecule ID: 122391259

IUPAC Name: (2R,4S)-2-[2-[[(5R)-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;(2R)-2,6-diaminohexanoic acid

Description: The molecule is poly-L-lysine (n > 40) in which 50-70% of the epsilon-amino groups are substituted with amoxicilloyl groups. It is a random copolymer, a thiazolidinemonocarboxylic acid, a polypeptide and an amino acid amide. It derives from an amoxicillin.

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

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

InChI: InChI=1S/C22H33N5O7S.C6H14N2O2/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;7-4-2-1-3-5(8)6(9)10/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);5H,1-4,7-8H2,(H,9,10)/t13-,14-,15?,16+,19-;5-/m11/s1

Molecular Properties:
- Polar Surface Area: 332.0 Ų
- LogP: nan