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| Ligand Name: LORACARBEF |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1073 |
PubChem:
5284585
|
Synonym(s):
- lorabid
- 76470-66-1
- loracarbefum
- loracarbef anhydrous
- loracarbefum [inn-latin]
- unii-w72i5zt78z
- loribid
- w72i5zt78z
- chebi:47544
- ly-163892
- (6r,7s)-7-[[(2r)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6r,7s)-7-{[(2r)-2-amino-2-phenylacetyl]amino}-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- kt 3777
- ly163892
- loracarbef [usan:inn:ban]
- ly 163892
- anhydrous loracarbef
- loracarbef (inn)
- lorbef (tn)
- loracabef
- chembl1013
- loracarbef, anhydrous
- schembl34153
- bidd:gt0753
- dtxsid7023223
- hms3713l04
- hy-b1682
- zinc1530993
- akos015895936
- ccg-220611
- db00447
- 7beta-[(2r)-2-amino-2-phenylacetyl]nitrilo-3-chloro-3,4-didehydrocepham-4-carboxylic acid
- ncgc00510749-15
- 1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((aminophenylacetyl)amino)-3-chloro-8-oxo-, (6r-(6alpha,7beta(r*)))-
- cs-0013651
- d08143
- q979521
- brd-k28935038-001-01-4
- (6r,7s)-7-[(2r)-2-amino-2-phenylacetamido]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2r)-aminophenylacetyl)amino)-3-chloro-8-oxo-, (6r,7s)-
show 39 synonym(s)
|
| DrugBank: DB00447 |
ChEMBL: CHEMBL1013 |
| Canonical SMILES: N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 |
| Standard InChI: InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1 |
| Molecular Formula: C16H16ClN3O4 |
Mol. Weight: 349.08295 |
logP: 0.7108 |
| HBD: 3 | HBA: 4 |
| #Rotatable Bonds: 4 | TPSA: 112.73 |