Molecule ID: 92042762

IUPAC Name: 3-(2-aminoethylsulfanyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Description: The molecule is a beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carring additional (2-aminoethyl)sulfanyl and ethyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem. It has a role as a bacterial metabolite. It is a beta-lactam, an aliphatic sulfide, a monocarboxylic acid, an organic heterobicyclic compound and a primary amino compound.

SMILES: CCC1C(=O)N2C1CC(SCCN)C2C(=O)O

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

InChI: InChI=1S/C11H18N2O3S/c1-2-6-7-5-8(17-4-3-12)9(11(15)16)13(7)10(6)14/h6-9H,2-5,12H2,1H3,(H,15,16)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -2.3