[Val7]lichenysin G15
AlkaPlorer ID: AK020190
Synonym: None
IUPAC Name: 2-[(3S,6R,9S,12S,15R,18S,21S)-21-(3-amino-3-oxopropyl)-6,15,18-tris(2-methylpropyl)-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-9-yl]acetic acid
Structure
SMILES: CCC(C)CCCCCCCCC1CC(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C(C)C)C(=O)O1
InChI: InChI=1S/C52H92N8O12/c1-13-34(12)20-18-16-14-15-17-19-21-35-27-42(62)54-36(22-23-41(53)61)46(65)55-37(24-29(2)3)47(66)56-38(25-30(4)5)49(68)59-44(32(8)9)51(70)58-40(28-43(63)64)48(67)57-39(26-31(6)7)50(69)60-45(33(10)11)52(71)72-35/h29-40,44-45H,13-28H2,1-12H3,(H2,53,61)(H,54,62)(H,55,65)(H,56,66)(H,57,67)(H,58,70)(H,59,68)(H,60,69)(H,63,64)/t34?,35?,36-,37-,38+,39+,40-,44-,45-/m0/s1
InChIKey: RERWMTKHDRRQPC-WXXNZXMZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus licheniformis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1021.352
TPSA？: 335.81
MolLogP？: 10.984969999999992
Number of H-Donors: 10
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|