PS-7

AlkaPlorer ID: AK326446

Synonym: None

IUPAC Name: 3-[(E)-2-acetamidoethenyl]sulfanyl-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Structure

SMILES: CCC1C(=O)N2C(C(=O)O)=C(S/C=C/N=C(C)O)CC12

copy

InChI: InChI=1S/C13H16N2O4S/c1-3-8-9-6-10(20-5-4-14-7(2)16)11(13(18)19)15(9)12(8)17/h4-5,8-9H,3,6H2,1-2H3,(H,14,16)(H,18,19)/b5-4+

copy

InChIKey: PQZKMTPCUYSWBM-SNAWJCMRSA-N

copy

Source

Properties Information

Molecule Weight: 296.34800000000007

TPSA: 90.2

MolLogP: 2.1041

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information