Cephabacin H4; 28-Deoxy, N27-L-alanyl
AlkaPlorer ID: AK291889
Synonym: Cephabacin H2
IUPAC Name: 7-[(5-amino-5-carboxypentanoyl)amino]-3-[[4-[2-(2-aminopropanoylamino)propanoylamino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Structure
SMILES: CC(N)C(O)=NC(C)C(O)=NC(CCCNC(=N)N)C(O)CC(=O)OCC1=C(C(=O)O)N2C(=O)C(N=C(O)CCCC(N)C(=O)O)C2SC1
InChI: InChI=1S/C28H45N9O11S/c1-12(29)22(41)34-13(2)23(42)35-16(6-4-8-33-28(31)32)17(38)9-19(40)48-10-14-11-49-25-20(24(43)37(25)21(14)27(46)47)36-18(39)7-3-5-15(30)26(44)45/h12-13,15-17,20,25,38H,3-11,29-30H2,1-2H3,(H,34,41)(H,35,42)(H,36,39)(H,44,45)(H,46,47)(H4,31,32,33)
InChIKey: WOQPXHJBBKNMFE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lysobacter lactamgenus | Lysobacter | Xanthomonadaceae | Xanthomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 715.787
TPSA？: 353.15000000000003
MolLogP？: -1.2777299999999892
Number of H-Donors: 11
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|