Cephalosporin C
AlkaPlorer ID: AK291913
Synonym: 7-[5-Amino-5-carboxyvaleramido]cephalosporanic acid
IUPAC Name: 3-(acetyloxymethyl)-7-[(5-amino-5-carboxypentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Structure
SMILES: CC(=O)OCC1=C(C(=O)O)N2C(=O)C(N=C(O)CCCC(N)C(=O)O)C2SC1
InChI: InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)
InChIKey: HOKIDJSKDBPKTQ-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 415.4240000000002
TPSA？: 179.82
MolLogP？: -0.2893999999999981
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 2
Activities Information
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