 |
| Ligand Name: panipenem |
| Ligand Type: L-peptide linking |
| Ligand ID: COVPDB733 |
PubChem:
72015
|
Synonym(s):
- 87726-17-8
- unii-w9769w09jf
- papm
- w9769w09jf
- carbapenem rs-533
- panipenemum
- (5r,6s)-6-((r)-1-hydroxyethyl)-3-(((s)-1-(1-iminoethyl)pyrrolidin-3-yl)thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- cs 533
- panipenem [inn:jan]
- panipenemum [inn-latin]
- rs 533
- penipanem
- cs-533
- rs-533
- 6-(1-hydroxyethyl)-2-(1-acetimidoylpyrrolidin-3-ylthio)-1-carbaren-2-em-3-carboxylic acid
- panipenem (jp17/inn)
- (5r,6s)-3-[(3s)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1r)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- schembl150517
- chebi:7911
- chembl339323
- dtxsid20868982
- zinc3780837
- cp0065
- akos015895977
- (+)-(5r,6s)-3-(((s)-1-acetimidoyl-3-pyrrolidinyl)thio)-6-((r)-1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
- 1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-((1-(1-iminoethyl)-3-pyrrolidinyl)thio)-7-oxo-, (5r-(3(s*),5-alpha,6-alpha(r*)))-
- ac-22713
- a13096
- d01048
- q7131192
- (5r,6s)-2-[1-acetamidoylpyrrolidin-3(s)-ylthio]-6-[1(r)-hydroxyethyl]-2-carbapenem-3-carboxylic acid
show 30 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL339323 |
| Canonical SMILES: C[C@@H](O)[C@@H]1[C@H]2CC(S[C@H]3CCN(C3)C(C)=N)=C(N2C1=O)C(O)=O |
| Standard InChI: InChI=1S/C15H21N3O4S/c1-7(19)12-10-5-11(13(15(21)22)18(10)14(12)20)23-9-3-4-17(6-9)8(2)16/h7,9-10,12,16,19H,3-6H2,1-2H3,(H,21,22)/t7-,9+,10-,12-/m1/s1 |
| Molecular Formula: C15H21N3O4S |
Mol. Weight: 339.12527 |
logP: 0.69877 |
| HBD: 3 | HBA: 5 |
| #Rotatable Bonds: 4 | TPSA: 104.93 |