Bacillopeptin C
AlkaPlorer ID: AK023308
Synonym: '', 'Bacillomycin Lc 3', 'Bacillopeptin C'
IUPAC Name: 3-[(3S,6R,9S,12S,15R,18R,21S,25S)-15,21-bis(2-amino-2-oxoethyl)-3-[(1R)-1-hydroxyethyl]-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(11-methyldodecyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid
Structure
SMILES: CC(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)=N[C@@H](CO)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@H](CO)C(O)=N[C@@H]([C@@H](C)O)C(O)=N1
InChI: InChI=1S/C48H76N10O16/c1-26(2)12-10-8-6-4-5-7-9-11-13-29-21-39(65)52-33(22-37(49)63)44(70)54-32(20-28-14-16-30(62)17-15-28)43(69)55-34(23-38(50)64)45(71)57-35(24-59)46(72)53-31(18-19-40(66)67)42(68)56-36(25-60)47(73)58-41(27(3)61)48(74)51-29/h14-17,26-27,29,31-36,41,59-62H,4-13,18-25H2,1-3H3,(H2,49,63)(H2,50,64)(H,51,74)(H,52,65)(H,53,72)(H,54,70)(H,55,69)(H,56,68)(H,57,71)(H,58,73)(H,66,67)/t27-,29+,31+,32-,33+,34-,35+,36-,41+/m1/s1
InChIKey: DURIFQIRQRYIFB-ZTZZRMHFSA-N
Reference
Bacillopeptins, New Cyclic Lipopeptide Antibiotics from Bacillus subtilis FR-2.
PubChem CID: 162869459
LOTUS: LTS0264268
SuperNatural Ⅲ: SN0075974-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1049.19
TPSA？: 467.10000000000014
MolLogP？: 5.577140000000009
Number of H-Donors: 17
Number of H-Acceptors: 15
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|