SK&F 88070   Click here for help

GtoPdb Ligand ID: 11049

Synonyms: Skf 88070
Compound class: Synthetic organic
Comment: SK&F 88070 is a broad-spectrum, β-lactam (cephalosporin) antibiotic [2].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 15
Hydrogen bond donors 5
Rotatable bonds 13
Topological polar surface area 344.43
Molecular weight 620.03
XLogP -3.98
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CCNS(=O)(=O)O
Isomeric SMILES CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CCNS(=O)(=O)O
InChI InChI=1S/C17H20N10O8S4/c1-35-23-9(8-6-37-16(18)20-8)12(28)21-10-13(29)27-11(15(30)31)7(4-36-14(10)27)5-38-17-22-24-25-26(17)3-2-19-39(32,33)34/h6,10,14,19H,2-5H2,1H3,(H2,18,20)(H,21,28)(H,30,31)(H,32,33,34)/b23-9-/t10-,14-/m1/s1
InChI Key ARWJIPOQKKRGCN-UPRLUYEASA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[[1-[2-(sulfoamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Synonyms Click here for help
Skf 88070
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 1087
Other databases
CAS Registry No. 80994-53-2 (source: ChemIDplus)
GtoPdb PubChem SID 405560490
PubChem CID 9571087
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