Cephabacin H4
AlkaPlorer ID: AK291887
Synonym: TAN 592D, Antibiotic TAN 592D
IUPAC Name: 7-[(5-amino-5-carboxypentanoyl)amino]-3-[[4-[(2-amino-3-hydroxypropanoyl)amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Structure
SMILES: N=C(N)NCCCC(N=C(O)C(N)CO)C(O)CC(=O)OCC1=C(C(=O)O)N2C(=O)C(N=C(O)CCCC(N)C(=O)O)C2SC1
InChI: InChI=1S/C25H40N8O11S/c26-12(23(40)41)3-1-5-16(36)32-18-21(39)33-19(24(42)43)11(10-45-22(18)33)9-44-17(37)7-15(35)14(4-2-6-30-25(28)29)31-20(38)13(27)8-34/h12-15,18,22,34-35H,1-10,26-27H2,(H,31,38)(H,32,36)(H,40,41)(H,42,43)(H4,28,29,30)
InChIKey: SGTQVVLYBWRSFL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Xanthomonas | Xanthomonadaceae | Xanthomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 660.7070000000002
TPSA？: 340.79
MolLogP？: -2.6503299999999914
Number of H-Donors: 11
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|