Cephabacin H4; 28-Deoxy, N27-(L-alanyl-L-alanyl)
AlkaPlorer ID: AK291890
Synonym: Cephabacin H3
IUPAC Name: 7-[(5-amino-5-carboxypentanoyl)amino]-3-[[4-[2-[2-(2-aminopropanoylamino)propanoylamino]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(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/C31H50N10O12S/c1-13(32)24(45)37-14(2)25(46)38-15(3)26(47)39-18(7-5-9-36-31(34)35)19(42)10-21(44)53-11-16-12-54-28-22(27(48)41(28)23(16)30(51)52)40-20(43)8-4-6-17(33)29(49)50/h13-15,17-19,22,28,42H,4-12,32-33H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)(H,40,43)(H,49,50)(H,51,52)(H4,34,35,36)
InChIKey: XCJRTVKKBIAJGF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lysobacter lactamgenus | Lysobacter | Xanthomonadaceae | Xanthomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 786.866
TPSA？: 385.74
MolLogP？: -0.932729999999993
Number of H-Donors: 12
Number of H-Acceptors: 14
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|