Deacetoxycephalosporin C
AlkaPlorer ID: AK031349
Synonym: None
IUPAC Name: (6R,7S)-7-[[(5S)-5-amino-5-carboxypentanoyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Structure
SMILES: CC1=C(C(=O)O)N2C(=O)[C@H](N=C(O)CCC[C@H](N)C(=O)O)[C@H]2SC1
InChI: InChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12+/m0/s1
InChIKey: NNQIJOYQWYKBOW-QOSJWCAFSA-N
Source
Properties Information
Molecule Weight: 357.38800000000003
TPSA？: 153.51999999999998
MolLogP？: 0.1674000000000002
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
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