None
AlkaPlorer ID: AK324883
Synonym: None
IUPAC Name: (4R)-5-[[(3S,6R,9S,12R,15S,18R,21R,22R)-3,18-bis[(2R)-butan-2-yl]-6,12-bis(hydroxymethyl)-22-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]amino]-4-[[(2S)-2-[[(3S)-3-hydroxydecanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
Structure
SMILES: CCCCCCC[C@H](O)CC(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CCC(=O)O)C(O)=N[C@H]1C(O)=N[C@H]([C@H](C)CC)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CO)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CO)C(O)=N[C@@H]([C@H](C)CC)C(=O)O[C@@H]1C
InChI: InChI=1S/C55H97N9O16/c1-13-16-17-18-19-20-35(67)26-42(68)56-37(23-29(4)5)48(72)57-36(21-22-43(69)70)47(71)64-46-34(12)80-55(79)45(33(11)15-3)63-52(76)41(28-66)61-49(73)38(24-30(6)7)58-51(75)40(27-65)60-50(74)39(25-31(8)9)59-53(77)44(32(10)14-2)62-54(46)78/h29-41,44-46,65-67H,13-28H2,1-12H3,(H,56,68)(H,57,72)(H,58,75)(H,59,77)(H,60,74)(H,61,73)(H,62,78)(H,63,76)(H,64,71)(H,69,70)/t32-,33-,34-,35+,36-,37+,38+,39+,40-,41-,44-,45+,46-/m1/s1
InChIKey: JAYJEXYYCNLGOQ-SXIBJIISSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas sp. | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1140.4279999999994
TPSA？: 417.6000000000001
MolLogP？: 8.049000000000015
Number of H-Donors: 13
Number of H-Acceptors: 15
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np9606456 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1021/np9606456 |
| Mycobacterium avium-intracellulare | Mycobacterium avium-intracellulare | MIC | 2.5 | ug.mL-1 | 10.1021/np9606456 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 5.0 | ug.mL-1 | 10.1021/np9606456 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np9606456 |