Chitinovorin A
AlkaPlorer ID: AK042933
Synonym: None
IUPAC Name: (6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-[[(3R,4S)-4-[[(2S)-2-aminopropanoyl]amino]-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Structure
SMILES: C[C@H](N)C(O)=N[C@@H](CCCNC(=N)N)[C@H](O)CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@](N=CO)(N=C(O)CCC[C@@H](N)C(=O)O)[C@H]2SC1
InChI: InChI=1S/C26H41N9O11S/c1-12(27)20(40)33-15(5-3-7-31-25(29)30)16(37)8-18(39)46-9-13-10-47-24-26(32-11-36,23(45)35(24)19(13)22(43)44)34-17(38)6-2-4-14(28)21(41)42/h11-12,14-16,24,37H,2-10,27-28H2,1H3,(H,32,36)(H,33,40)(H,34,38)(H,41,42)(H,43,44)(H4,29,30,31)/t12-,14+,15-,16+,24+,26+/m0/s1
InChIKey: QIKMSWPGMFAWFV-IMEJHETLSA-N
Reference
Chitinovorins A, B and C, novel .BETA.-lactam antibiotics of bacterial origin.
PubChem CID: 13654968
LOTUS: LTS0128693
{NPAtlas: NPA021387
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Flavobacteriaceae | Flavobacteriales | Flavobacteriia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 687.7330000000001
TPSA？: 353.15000000000003
MolLogP？: -1.708729999999991
Number of H-Donors: 11
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|