Anteiso-C17 bacillomycin D
AlkaPlorer ID: AK054169
Synonym: None
IUPAC Name: 3-[(3R,6R,9S,13R,16S,19R,22S,25S)-3,9-bis(2-amino-2-oxoethyl)-16-(1-hydroxyethyl)-19-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-13-(11-methyltridecyl)-2,5,8,11,15,18,21,24-octaoxo-1,4,7,10,14,17,20,23-octazabicyclo[23.3.0]octacosan-22-yl]propanoic acid
Structure
SMILES: CCC(C)CCCCCCCCCC[C@@H]1CC(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](CC2=CC=C(O)C=C2)C(O)=N[C@H](CC(=N)O)C(=O)N2CCC[C@H]2C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@H](CO)C(O)=N[C@@H](C(C)O)C(O)=N1
InChI: InChI=1S/C51H80N10O15/c1-4-29(2)14-11-9-7-5-6-8-10-12-15-32-25-42(67)55-36(26-40(52)65)47(72)57-35(24-31-17-19-33(64)20-18-31)46(71)58-37(27-41(53)66)51(76)61-23-13-16-39(61)49(74)56-34(21-22-43(68)69)45(70)59-38(28-62)48(73)60-44(30(3)63)50(75)54-32/h17-20,29-30,32,34-39,44,62-64H,4-16,21-28H2,1-3H3,(H2,52,65)(H2,53,66)(H,54,75)(H,55,67)(H,56,74)(H,57,72)(H,58,71)(H,59,70)(H,60,73)(H,68,69)/t29?,30?,32-,34+,35-,36+,37-,38-,39+,44+/m1/s1
InChIKey: ZUUBJNJPFAIYLD-QIPBMDSUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus amyloliquefaciens | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1073.256
TPSA？: 434.5900000000001
MolLogP？: 6.64084000000001
Number of H-Donors: 15
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|