Molecule ID: 122391257

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

Description: The molecule is a thiazolidinemonocarboxylate formed by proton loss from the carboxy group of amoxicilloyl-butylamine. It is a conjugate base of an amoxicilloyl-butylamine.

SMILES: CCCCN=C(O)[C@@H](N=C(O)[C@H](N)c1ccc([O-])cc1)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1

SELFIES: [C][C][C][C][N][=C][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][N][=C][Branch1][C][O][C@H1][Branch1][C][N][C][=C][C][=C][Branch1][C][O-1][C][=C][Ring1][#Branch1][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/C20H30N4O5S/c1-4-5-10-22-17(27)14(18-24-15(19(28)29)20(2,3)30-18)23-16(26)13(21)11-6-8-12(25)9-7-11/h6-9,13-15,18,24-25H,4-5,10,21H2,1-3H3,(H,22,27)(H,23,26)(H,28,29)/p-1/t13-,14-,15+,18-/m1/s1

Molecular Properties:
- Polar Surface Area: 182.0 Ų
- LogP: -0.6