Molecule ID: 44602456

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

Description: The molecule is an amide formed between 6-aminopenicillin and butylamine. It is a monocarboxylic acid amide and a thiazolidinemonocarboxylic acid. It derives from a 6-aminopenicillanic acid.

SMILES: CCCCN=C(O)[C@@H](N)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1

SELFIES: [C][C][C][C][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][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/C12H23N3O3S/c1-4-5-6-14-9(16)7(13)10-15-8(11(17)18)12(2,3)19-10/h7-8,10,15H,4-6,13H2,1-3H3,(H,14,16)(H,17,18)/t7-,8+,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: -2.0