PS-5

AlkaPlorer ID: AK012787

Synonym: 'PS-5'

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

Structure

SMILES: CC[C@H]1C(=O)N2C(C(=O)O)=C(SCCN=C(C)O)CC12

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InChI: InChI=1S/C13H18N2O4S/c1-3-8-9-6-10(20-5-4-14-7(2)16)11(13(18)19)15(9)12(8)17/h8-9H,3-6H2,1-2H3,(H,14,16)(H,18,19)/t8-,9?/m1/s1

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InChIKey: MHSNTZYKSLYGOM-VEDVMXKPSA-N

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Source

Properties Information

Molecule Weight: 298.36400000000003

TPSA: 90.2

MolLogP: 1.6329

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