Taiwachelin
AlkaPlorer ID: AK314856
Synonym: None
IUPAC Name: 4-[[1-[[3-carboxy-1-[[5-[hydroxy(3-hydroxybutanoyl)amino]-1-[[3-hydroxy-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(dodecanoylamino)-2-hydroxy-4-oxobutanoic acid
Structure
SMILES: CCCCCCCCCCCC(O)=NC(C(O)=NC(C(O)=NC(CC(=O)O)C(O)=NC(CCCN(O)C(=O)CC(C)O)C(O)=NC(CO)C(O)=NC1CCCN(O)C1=O)C(C)O)C(O)C(=O)O
InChI: InChI=1S/C41H70N8O18/c1-4-5-6-7-8-9-10-11-12-17-29(53)46-33(34(57)41(64)65)39(62)47-32(24(3)52)38(61)44-27(21-31(55)56)36(59)42-25(15-13-18-48(66)30(54)20-23(2)51)35(58)45-28(22-50)37(60)43-26-16-14-19-49(67)40(26)63/h23-28,32-34,50-52,57,66-67H,4-22H2,1-3H3,(H,42,59)(H,43,60)(H,44,61)(H,45,58)(H,46,53)(H,47,62)(H,55,56)(H,64,65)
InChIKey: DSEHLJGXEXFDGA-UHFFFAOYSA-N
Reference
CAS: 1414957-69-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cupriavidus taiwanensis | Cupriavidus | Burkholderiaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 963.0490000000002
TPSA？: 432.14
MolLogP？: 1.931700000000008
Number of H-Donors: 14
Number of H-Acceptors: 16
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|