Molecule ID: 45266801

IUPAC Name: (2R,4S)-2-[2-[[(5R)-5-amino-5-carboxypentyl]amino]-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Description: The molecule is a polypeptide in which the epsilon-amino group of each L-lysine residue in poly-L-lysine is substituted with a benzylpenicilloyl group. It derives from a poly(L-lysine) macromolecule.

SMILES: CC1(C)S[C@H](C(N=C(O)Cc2ccccc2)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][Ring2][C][Branch1][#C][N][=C][Branch1][C][O][C][C][=C][C][=C][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][=N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C22H32N4O6S/c1-22(2)17(21(31)32)26-19(33-22)16(25-15(27)12-13-8-4-3-5-9-13)18(28)24-11-7-6-10-14(23)20(29)30/h3-5,8-9,14,16-17,19,26H,6-7,10-12,23H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)(H,31,32)/t14-,16?,17+,19-/m1/s1

Molecular Properties:
- Polar Surface Area: 196.0 Ų
- LogP: -3.9