Molecule ID: 44602462

IUPAC Name: (2R,4S)-2-[(1R)-1-amino-2-(benzylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Description: The molecule is amide formed between 6-aminopenicillanic acid and benzylamine. It is a monocarboxylic acid amide and a thiazolidinemonocarboxylic acid. It contains a 6-aminopenicilloyl group.

SMILES: CC1(C)S[C@H]([C@H](N)C(O)=NCc2ccccc2)N[C@H]1C(=O)O

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

InChI: InChI=1S/C15H21N3O3S/c1-15(2)11(14(20)21)18-13(22-15)10(16)12(19)17-8-9-6-4-3-5-7-9/h3-7,10-11,13,18H,8,16H2,1-2H3,(H,17,19)(H,20,21)/t10-,11+,13-/m1/s1

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: -1.7