(2S)-N-[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-2-benzopyran-4-yl]-2-[(2S)-2-aminopropanamido]propanamide
AlkaPlorer ID: AK066168
Synonym: None
IUPAC Name: (2S)-N-[(2S)-1-[[(3S,4R,4aR,5R,6R)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]amino]-1-oxopropan-2-yl]-2-aminopropanamide
Structure
SMILES: C[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H]1[C@H]2C(=C(O)C[C@@H](O)[C@@H]2O)C(=O)O[C@]1(C)C(Cl)Cl
InChI: InChI=1S/C17H25Cl2N3O7/c1-5(20)13(26)21-6(2)14(27)22-12-10-9(7(23)4-8(24)11(10)25)15(28)29-17(12,3)16(18)19/h5-6,8,10-12,16,23-25H,4,20H2,1-3H3,(H,21,26)(H,22,27)/t5-,6-,8+,10-,11-,12+,17-/m0/s1
InChIKey: IYAPNLVPSZAHNK-WHIZQPFXSA-N
Reference
Quorum-Sensing-Regulated Bactobolin Production by <i>Burkholderia thailandensis</i> E264
PubChem CID: 101596743
LOTUS: LTS0183753
SuperNatural Ⅲ: SN0158367-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Burkholderia thailandensis | Burkholderia | Burkholderiaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 454.3070000000001
TPSA？: 178.18999999999997
MolLogP？: 0.6767000000000003
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|